(15S,18S,27S)-27-amino-3-((1-(((S)-1-((S)-2-(((5S,8S,11S,14S)-5-((S)-2-(((S)-5-amino-1-(((S)-4-amino-1-(((S)-1-(((S)-3-amino-1-carboxy-3-oxopropyl)amino)-1-oxopropan-2-yl)amino)-1,4-dioxobutan-2-yl)amino)-1,5-dioxopentan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-15-(1H-imidazol-5-yl)-11-isopropyl-8-methoxy-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-14-yl)carbamoyl)pyrrolidin-1-yl)-5-guanidino-1-oxopentan-2-yl)amino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)carbamoyl)-9-(2-carboxyethyl)-15-(carboxymethyl)-6-(3-guanidinopropyl)-18,21-bis(hydroxymethyl)-12-isobutyl-24-(2-(methylthio)ethyl)-5,8,11,14,17,20,23,26-octaoxo-4,7,10,13,16,19,22,25-octaazanonacosanedioic acid

Catalog No. :
ACKYFI148
CAS No. :
85916-47-8
Molecular Formula :
C97H154N34O36S2
Molecular Weight :
2436.64

IUPAC Name:(15S,18S,27S)-27-amino-3-((1-(((S)-1-((S)-2-(((5S,8S,11S,14S)-5-((S)-2-(((S)-5-amino-1-(((S)-4-amino-1-(((S)-1-(((S)-3-amino-1-carboxy-3-oxopropyl)amino)-1-oxopropan-2-yl)amino)-1,4-dioxobutan-2-yl)amino)-1,5-dioxopentan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-15-(1H-imidazol-5-yl)-11-isopropyl-8-methoxy-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-14-yl)carbamoyl)pyrrolidin-1-yl)-5-guanidino-1-oxopentan-2-yl)amino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)carbamoyl)-9-(2-carboxyethyl)-15-(carboxymethyl)-6-(3-guanidinopropyl)-18,21-bis(hydroxymethyl)-12-isobutyl-24-(2-(methylthio)ethyl)-5,8,11,14,17,20,23,26-octaoxo-4,7,10,13,16,19,22,25-octaazanonacosanedioic acid

(15S,18S,27S)-27-amino-3-((1-(((S)-1-((S)-2-(((5S,8S,11S,14S)-5-((S)-2-(((S)-5-amino-1-(((S)-4-amino-1-(((S)-1-(((S)-3-amino-1-carboxy-3-oxopropyl)amino)-1-oxopropan-2-yl)amino)-1,4-dioxobutan-2-yl)amino)-1,5-dioxopentan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-15-(1H-imidazol-5-yl)-11-isopropyl-8-methoxy-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-14-yl)carbamoyl)pyrrolidin-1-yl)-5-guanidino-1-oxopentan-2-yl)amino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)carbamoyl)-9-(2-carboxyethyl)-15-(carboxymethyl)-6-(3-guanidinopropyl)-18,21-bis(hydroxymethyl)-12-isobutyl-24-(2-(methylthio)ethyl)-5,8,11,14,17,20,23,26-octaoxo-4,7,10,13,16,19,22,25-octaazanonacosanedioic acid structure diagram
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Product Information

Product Name(15S,18S,27S)-27-amino-3-((1-(((S)-1-((S)-2-(((5S,8S,11S,14S)-5-((S)-2-(((S)-5-amino-1-(((S)-4-amino-1-(((S)-1-(((S)-3-amino-1-carboxy-3-oxopropyl)amino)-1-oxopropan-2-yl)amino)-1,4-dioxobutan-2-yl)amino)-1,5-dioxopentan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-15-(1H-imidazol-5-yl)-11-isopropyl-8-methoxy-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-14-yl)carbamoyl)pyrrolidin-1-yl)-5-guanidino-1-oxopentan-2-yl)amino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)carbamoyl)-9-(2-carboxyethyl)-15-(carboxymethyl)-6-(3-guanidinopropyl)-18,21-bis(hydroxymethyl)-12-isobutyl-24-(2-(methylthio)ethyl)-5,8,11,14,17,20,23,26-octaoxo-4,7,10,13,16,19,22,25-octaazanonacosanedioic acid
IUPAC Name(15S,18S,27S)-27-amino-3-((1-(((S)-1-((S)-2-(((5S,8S,11S,14S)-5-((S)-2-(((S)-5-amino-1-(((S)-4-amino-1-(((S)-1-(((S)-3-amino-1-carboxy-3-oxopropyl)amino)-1-oxopropan-2-yl)amino)-1,4-dioxobutan-2-yl)amino)-1,5-dioxopentan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-15-(1H-imidazol-5-yl)-11-isopropyl-8-methoxy-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-14-yl)carbamoyl)pyrrolidin-1-yl)-5-guanidino-1-oxopentan-2-yl)amino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)carbamoyl)-9-(2-carboxyethyl)-15-(carboxymethyl)-6-(3-guanidinopropyl)-18,21-bis(hydroxymethyl)-12-isobutyl-24-(2-(methylthio)ethyl)-5,8,11,14,17,20,23,26-octaoxo-4,7,10,13,16,19,22,25-octaazanonacosanedioic acid
MDL No.MFCD00133425
Molecular FormulaC97H154N34O36S2
Molecular Weight2436.64
SMILESCO[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)C(CO)NC(=O)C(CCSC)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChI KeyBOARIOLZPFSAQJ-NQSKQZERSA-N
SynonymKATACALCIN;KATACALCIN (HUMAN);C-PROCALCITONIN;C-PROCALCITONIN (HUMAN);CALCITONIN C-TERMINAL FLANKING PEPTIDE (HUMAN);DMSSDLERDHRPHVSMPQNAN;H-ASP-MET-SER-SER-ASP-LEU-GLU-ARG-ASP-HIS-ARG-PRO-HIS-VAL-SER-MET-PRO-GLN-ASN-ALA-ASN-OH;ASP-MET-SER-SER-ASP-LEU-GLU-ARG-ASP-HIS-ARG-PRO-HIS-VAL-SER-MET-PRO-GLN-ASN-ALA-ASN
CAS No.85916-47-8

Synthetic Route by SureRoute

1. ACKYFI148 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACKYFI148 route product structure diagram
    ACKYFI14885916-47-8
Inquiry

2. ACKYFI148 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACKYFI148 route product structure diagram
    ACKYFI14885916-47-8
Inquiry

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