[2,5-bis(oxidanylidene)pyrrolidin-1-yl] 6-azanyl-2-[[2-[[6-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoate hydrochloride

Systemtic Name: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 6-azanyl-2-[[2-[[6-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoate hydrochloride Openeye Name: (2,5-dioxopyrrolidin-1-yl) 6-amino-2-[[2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoate hydrochloride CAS Name: 6-amino-2-[[2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]hexanoic acid (2,5-dioxo-1-pyrrolidinyl) ester hydrochloride IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 6-amino-2-[[2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoate hydrochloride Traditional Name: 6-amino-2-[[2-[[6-amino-2-(tyrosylamino)hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid succinimido ester hydrochloride Formula: C34H48ClN7O9 MolecularWeight: 734.23942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)OC(=O)C(CCCCN)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCCCN)NC(=O)C(CC3=CC=C(C=C3)O)N.Cl

Isomeric SMILES

C1CC(=O)N(C1=O)OC(=O)C(CCCCN)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCCCN)NC(=O)C(CC3=CC=C(C=C3)O)N.Cl

InChI

InChI=1S/C34H47N7O9.ClH/c35-17-3-1-5-26(38-31(46)25(37)19-21-7-11-23(42)12-8-21)32(47)40-28(20-22-9-13-24(43)14-10-22)33(48)39-27(6-2-4-18-36)34(49)50-41-29(44)15-16-30(41)45;/h7-14,25-28,42-43H,1-6,15-20,35-37H2,(H,38,46)(H,39,48)(H,40,47);1H