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((19S,22S,28S,34S,40S)-19-(3-amino-3-oxopropyl)-49-benzyl-28-((S)-sec-butyl)-34-(carboxymethyl)-52-((S)-2-((S)-2-((S)-5-guanidino-2-((S)-5-guanidino-2-((S)-2-((S)-3-hydroxy-2-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)propanamido)-4-methylpentanamido)pentanamido)pentanamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-31,40-bis(3-guanidinopropyl)-16-(hydroxymethyl)-10-isobutyl-22-methyl-37-(2-(methylthio)ethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaazacyclotripentacontane-4-carbonyl)-L-asparaginyl-L-seryl-L-phenylalanyl-L-arginyl-L-tyrosine

Catalog No. :
ACIWMV449
CAS No. :
1815618-06-4
Molecular Formula :
C137H217N47O41S4
Molecular Weight :
3306.80

IUPAC Name:((19S,22S,28S,34S,40S)-19-(3-amino-3-oxopropyl)-49-benzyl-28-((S)-sec-butyl)-34-(carboxymethyl)-52-((S)-2-((S)-2-((S)-5-guanidino-2-((S)-5-guanidino-2-((S)-2-((S)-3-hydroxy-2-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)propanamido)-4-methylpentanamido)pentanamido)pentanamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-31,40-bis(3-guanidinopropyl)-16-(hydroxymethyl)-10-isobutyl-22-methyl-37-(2-(methylthio)ethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaazacyclotripentacontane-4-carbonyl)-L-asparaginyl-L-seryl-L-phenylalanyl-L-arginyl-L-tyrosine

((19S,22S,28S,34S,40S)-19-(3-amino-3-oxopropyl)-49-benzyl-28-((S)-sec-butyl)-34-(carboxymethyl)-52-((S)-2-((S)-2-((S)-5-guanidino-2-((S)-5-guanidino-2-((S)-2-((S)-3-hydroxy-2-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)propanamido)-4-methylpentanamido)pentanamido)pentanamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-31,40-bis(3-guanidinopropyl)-16-(hydroxymethyl)-10-isobutyl-22-methyl-37-(2-(methylthio)ethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaazacyclotripentacontane-4-carbonyl)-L-asparaginyl-L-seryl-L-phenylalanyl-L-arginyl-L-tyrosine structure diagram
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Product Name((19S,22S,28S,34S,40S)-19-(3-amino-3-oxopropyl)-49-benzyl-28-((S)-sec-butyl)-34-(carboxymethyl)-52-((S)-2-((S)-2-((S)-5-guanidino-2-((S)-5-guanidino-2-((S)-2-((S)-3-hydroxy-2-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)propanamido)-4-methylpentanamido)pentanamido)pentanamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-31,40-bis(3-guanidinopropyl)-16-(hydroxymethyl)-10-isobutyl-22-methyl-37-(2-(methylthio)ethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaazacyclotripentacontane-4-carbonyl)-L-asparaginyl-L-seryl-L-phenylalanyl-L-arginyl-L-tyrosine
IUPAC Name((19S,22S,28S,34S,40S)-19-(3-amino-3-oxopropyl)-49-benzyl-28-((S)-sec-butyl)-34-(carboxymethyl)-52-((S)-2-((S)-2-((S)-5-guanidino-2-((S)-5-guanidino-2-((S)-2-((S)-3-hydroxy-2-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)propanamido)-4-methylpentanamido)pentanamido)pentanamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-31,40-bis(3-guanidinopropyl)-16-(hydroxymethyl)-10-isobutyl-22-methyl-37-(2-(methylthio)ethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaazacyclotripentacontane-4-carbonyl)-L-asparaginyl-L-seryl-L-phenylalanyl-L-arginyl-L-tyrosine
Molecular FormulaC137H217N47O41S4
Molecular Weight3306.80
SMILESCC[C@H](C)[C@@H]1NC(=O)C(CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)C(CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)CSSCC(C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O
InChI KeyHDTMXJVYSAVVRC-STPZZZDRSA-N
SynonymBiotinyl-Atrial Natriuretic Factor (1-28) (human);L-Tyrosine, N-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-L-seryl-L-leucyl-L-arginyl-L-arginyl-L-seryl-L-seryl-L-cysteinyl-L-phenylalanylglycylglycyl-L-arginyl-L-methionyl-L-α-aspartyl-L-arginyl-L-isoleucylglycyl-L-alanyl-L-glutaminyl-L-serylglycyl-L-leucylglycyl-L-c...;L-Tyrosine, N-[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]-L-seryl-L-leucyl-L-arginyl-L-arginyl-L-seryl-L-seryl-L-cysteinyl-L-phenylalanylglycylglycyl-L-arginyl-L-methionyl-L-α-aspartyl-L-arginyl-L-isoleucylglycyl-L-alanyl-L-glutaminyl-L-serylglycyl-L-leucylglycyl-L-cysteinyl-L-asparaginyl-L-seryl-L-phenylalanyl-L-arginyl-, cyclic (7→23)-disulfide;Atrial Natriuretic Peptide (1-28), human, porcine, Biotin-labeled - 0.5 mg
CAS No.1815618-06-4

Synthetic Route by SureRoute

1. ACIWMV449 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACIWMV449 route product structure diagram
    ACIWMV4491815618-06-4
Inquiry

2. ACIWMV449 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACIWMV449 route product structure diagram
    ACIWMV4491815618-06-4
Inquiry

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