((3S,6S,9S,12S,15S,18S,24S,27R,30S,33S,39S,42S,45S,48R,53R,56S,59S,62S,71S,74R,89R,94aS,99R)-53-((S)-4-amino-2-((S)-2-((S)-2-((S)-2-amino-3-carboxypropanamido)-3-(1H-imidazol-4-yl)propanamido)-3-(4-hydroxyphenyl)propanamido)-4-oxobutanamido)-18,71-bis(3-amino-3-oxopropyl)-12,39,45-tris(4-aminobutyl)-6-benzyl-3,15-di((S)-sec-butyl)-33-(3-guanidinopropyl)-30,80-bis(4-hydroxybenzyl)-9,24-bis((R)-1-hydroxyethyl)-59,62,83-tris(hydroxymethyl)-77-isobutyl-56-isopropyl-42,86-dimethyl-1,4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,54,57,60,63,66,69,72,75,78,81,84,87,90,101-triacontaoxononacontahydro-1H,52H-89,48-(methanodithioethanoiminomethano)-27,74-(methanodithiomethano)pyrrolo[2,1-z1][1,2]dithia[5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89]nonacosaazacyclodononacontine-99-carbonyl)-L-lysine

Catalog No. :: ACDPDT213
CAS No. :: 452274-53-2
Molecular Formula :: C167H256N48O50S6
Molecular Weight :: 3928.57

IUPAC Name:((3S,6S,9S,12S,15S,18S,24S,27R,30S,33S,39S,42S,45S,48R,53R,56S,59S,62S,71S,74R,89R,94aS,99R)-53-((S)-4-amino-2-((S)-2-((S)-2-((S)-2-amino-3-carboxypropanamido)-3-(1H-imidazol-4-yl)propanamido)-3-(4-hydroxyphenyl)propanamido)-4-oxobutanamido)-18,71-bis(3-amino-3-oxopropyl)-12,39,45-tris(4-aminobutyl)-6-benzyl-3,15-di((S)-sec-butyl)-33-(3-guanidinopropyl)-30,80-bis(4-hydroxybenzyl)-9,24-bis((R)-1-hydroxyethyl)-59,62,83-tris(hydroxymethyl)-77-isobutyl-56-isopropyl-42,86-dimethyl-1,4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,54,57,60,63,66,69,72,75,78,81,84,87,90,101-triacontaoxononacontahydro-1H,52H-89,48-(methanodithioethanoiminomethano)-27,74-(methanodithiomethano)pyrrolo[2,1-z1][1,2]dithia[5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89]nonacosaazacyclodononacontine-99-carbonyl)-L-lysine

((3S,6S,9S,12S,15S,18S,24S,27R,30S,33S,39S,42S,45S,48R,53R,56S,59S,62S,71S,74R,89R,94aS,99R)-53-((S)-4-amino-2-((S)-2-((S)-2-((S)-2-amino-3-carboxypropanamido)-3-(1H-imidazol-4-yl)propanamido)-3-(4-hydroxyphenyl)propanamido)-4-oxobutanamido)-18,71-bis(3-amino-3-oxopropyl)-12,39,45-tris(4-aminobutyl)-6-benzyl-3,15-di((S)-sec-butyl)-33-(3-guanidinopropyl)-30,80-bis(4-hydroxybenzyl)-9,24-bis((R)-1-hydroxyethyl)-59,62,83-tris(hydroxymethyl)-77-isobutyl-56-isopropyl-42,86-dimethyl-1,4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,54,57,60,63,66,69,72,75,78,81,84,87,90,101-triacontaoxononacontahydro-1H,52H-89,48-(methanodithioethanoiminomethano)-27,74-(methanodithiomethano)pyrrolo[2,1-z1][1,2]dithia[5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89]nonacosaazacyclodononacontine-99-carbonyl)-L-lysine structure diagram

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Product Name	((3S,6S,9S,12S,15S,18S,24S,27R,30S,33S,39S,42S,45S,48R,53R,56S,59S,62S,71S,74R,89R,94aS,99R)-53-((S)-4-amino-2-((S)-2-((S)-2-((S)-2-amino-3-carboxypropanamido)-3-(1H-imidazol-4-yl)propanamido)-3-(4-hydroxyphenyl)propanamido)-4-oxobutanamido)-18,71-bis(3-amino-3-oxopropyl)-12,39,45-tris(4-aminobutyl)-6-benzyl-3,15-di((S)-sec-butyl)-33-(3-guanidinopropyl)-30,80-bis(4-hydroxybenzyl)-9,24-bis((R)-1-hydroxyethyl)-59,62,83-tris(hydroxymethyl)-77-isobutyl-56-isopropyl-42,86-dimethyl-1,4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,54,57,60,63,66,69,72,75,78,81,84,87,90,101-triacontaoxononacontahydro-1H,52H-89,48-(methanodithioethanoiminomethano)-27,74-(methanodithiomethano)pyrrolo[2,1-z1][1,2]dithia[5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89]nonacosaazacyclodononacontine-99-carbonyl)-L-lysine
IUPAC Name	((3S,6S,9S,12S,15S,18S,24S,27R,30S,33S,39S,42S,45S,48R,53R,56S,59S,62S,71S,74R,89R,94aS,99R)-53-((S)-4-amino-2-((S)-2-((S)-2-((S)-2-amino-3-carboxypropanamido)-3-(1H-imidazol-4-yl)propanamido)-3-(4-hydroxyphenyl)propanamido)-4-oxobutanamido)-18,71-bis(3-amino-3-oxopropyl)-12,39,45-tris(4-aminobutyl)-6-benzyl-3,15-di((S)-sec-butyl)-33-(3-guanidinopropyl)-30,80-bis(4-hydroxybenzyl)-9,24-bis((R)-1-hydroxyethyl)-59,62,83-tris(hydroxymethyl)-77-isobutyl-56-isopropyl-42,86-dimethyl-1,4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,54,57,60,63,66,69,72,75,78,81,84,87,90,101-triacontaoxononacontahydro-1H,52H-89,48-(methanodithioethanoiminomethano)-27,74-(methanodithiomethano)pyrrolo[2,1-z1][1,2]dithia[5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89]nonacosaazacyclodononacontine-99-carbonyl)-L-lysine
Molecular Formula	C167H256N48O50S6
Molecular Weight	3928.57
SMILES	CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@H](CC4=CNC=N4)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N2
InChI Key	CLAFBNXESHRGJL-YYSGPKNVSA-N
Synonym	Human β-defensin-1;BD-1 (36 a.a.), recombinant Human
CAS No.	452274-53-2

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