2-((6S,9S,12S,15S,18S,21S,23aS,29R,34R,37S,39aS)-29-((9S,12S,15S,18S)-9-amino-12,15,18-tris(3-guanidinopropyl)-4-imino-2,10,13,16-tetraoxo-3,5,11,14,17-pentaazanonadecan-19-amido)-15-((S)-sec-butyl)-34-(((6S,9S,12S,15S)-1,20-diamino-6-carbamoyl-9,12-bis(3-guanidinopropyl)-1,20-diimino-8,11,14-trioxo-2,7,10,13,19-pentaazaicosan-15-yl)carbamoyl)-9,18-bis(4-hydroxybenzyl)-12-(hydroxymethyl)-21-isobutyl-37-isopropyl-5,8,11,14,17,20,23,28,36,39-decaoxotetratriacontahydro-1H,5H,28H-dipyrrolo[2,1-e1:2',1'-j][1,2]dithia[5,8,11,14,17,20,23,26,29,32]decaazacyclopentatriacontin-6-yl)acetic acid

Catalog No. :: ACSHWF991
CAS No. :: 2098181-84-9
Molecular Formula :: C108H182N44O25S2
Molecular Weight :: 2561.06

IUPAC Name:2-((6S,9S,12S,15S,18S,21S,23aS,29R,34R,37S,39aS)-29-((9S,12S,15S,18S)-9-amino-12,15,18-tris(3-guanidinopropyl)-4-imino-2,10,13,16-tetraoxo-3,5,11,14,17-pentaazanonadecan-19-amido)-15-((S)-sec-butyl)-34-(((6S,9S,12S,15S)-1,20-diamino-6-carbamoyl-9,12-bis(3-guanidinopropyl)-1,20-diimino-8,11,14-trioxo-2,7,10,13,19-pentaazaicosan-15-yl)carbamoyl)-9,18-bis(4-hydroxybenzyl)-12-(hydroxymethyl)-21-isobutyl-37-isopropyl-5,8,11,14,17,20,23,28,36,39-decaoxotetratriacontahydro-1H,5H,28H-dipyrrolo[2,1-e1:2',1'-j][1,2]dithia[5,8,11,14,17,20,23,26,29,32]decaazacyclopentatriacontin-6-yl)acetic acid

2-((6S,9S,12S,15S,18S,21S,23aS,29R,34R,37S,39aS)-29-((9S,12S,15S,18S)-9-amino-12,15,18-tris(3-guanidinopropyl)-4-imino-2,10,13,16-tetraoxo-3,5,11,14,17-pentaazanonadecan-19-amido)-15-((S)-sec-butyl)-34-(((6S,9S,12S,15S)-1,20-diamino-6-carbamoyl-9,12-bis(3-guanidinopropyl)-1,20-diimino-8,11,14-trioxo-2,7,10,13,19-pentaazaicosan-15-yl)carbamoyl)-9,18-bis(4-hydroxybenzyl)-12-(hydroxymethyl)-21-isobutyl-37-isopropyl-5,8,11,14,17,20,23,28,36,39-decaoxotetratriacontahydro-1H,5H,28H-dipyrrolo[2,1-e1:2',1'-j][1,2]dithia[5,8,11,14,17,20,23,26,29,32]decaazacyclopentatriacontin-6-yl)acetic acid structure diagram

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Product Name	2-((6S,9S,12S,15S,18S,21S,23aS,29R,34R,37S,39aS)-29-((9S,12S,15S,18S)-9-amino-12,15,18-tris(3-guanidinopropyl)-4-imino-2,10,13,16-tetraoxo-3,5,11,14,17-pentaazanonadecan-19-amido)-15-((S)-sec-butyl)-34-(((6S,9S,12S,15S)-1,20-diamino-6-carbamoyl-9,12-bis(3-guanidinopropyl)-1,20-diimino-8,11,14-trioxo-2,7,10,13,19-pentaazaicosan-15-yl)carbamoyl)-9,18-bis(4-hydroxybenzyl)-12-(hydroxymethyl)-21-isobutyl-37-isopropyl-5,8,11,14,17,20,23,28,36,39-decaoxotetratriacontahydro-1H,5H,28H-dipyrrolo[2,1-e1:2',1'-j][1,2]dithia[5,8,11,14,17,20,23,26,29,32]decaazacyclopentatriacontin-6-yl)acetic acid
IUPAC Name	2-((6S,9S,12S,15S,18S,21S,23aS,29R,34R,37S,39aS)-29-((9S,12S,15S,18S)-9-amino-12,15,18-tris(3-guanidinopropyl)-4-imino-2,10,13,16-tetraoxo-3,5,11,14,17-pentaazanonadecan-19-amido)-15-((S)-sec-butyl)-34-(((6S,9S,12S,15S)-1,20-diamino-6-carbamoyl-9,12-bis(3-guanidinopropyl)-1,20-diimino-8,11,14-trioxo-2,7,10,13,19-pentaazaicosan-15-yl)carbamoyl)-9,18-bis(4-hydroxybenzyl)-12-(hydroxymethyl)-21-isobutyl-37-isopropyl-5,8,11,14,17,20,23,28,36,39-decaoxotetratriacontahydro-1H,5H,28H-dipyrrolo[2,1-e1:2',1'-j][1,2]dithia[5,8,11,14,17,20,23,26,29,32]decaazacyclopentatriacontin-6-yl)acetic acid
Molecular Formula	C108H182N44O25S2
Molecular Weight	2561.06
SMILES	CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)NC(C)=O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CO)NC1=O
InChI Key	PNSDZPKWIOBSHR-WVEXBLHFSA-N
CAS No.	2098181-84-9

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1. ACSHWF991 Molecular Building Block Synthetic Route

2. ACSHWF991 Molecular Building Block Synthetic Route

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