2-[[6-azanyl-2-[[6-azanyl-2-[[2-[[6-azanyl-2-[(2-azanyl-3-sulfanyl-propanoyl)amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[6-azanyl-2-[[6-azanyl-2-[[2-[[6-azanyl-2-[(2-azanyl-3-sulfanyl-propanoyl)amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[6-amino-2-[[6-amino-2-[[2-[[6-amino-2-[(2-amino-3-sulfanyl-propanoyl)amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[6-amino-2-[[6-amino-2-[[2-[[6-amino-2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[6-amino-2-[[6-amino-2-[[2-[[6-amino-2-[(2-amino-3-sulfanylpropanoyl)amino]hexanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[6-amino-2-[[6-amino-2-[[2-[[6-amino-2-[(2-amino-3-mercapto-propanoyl)amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-mercapto-propionic acid Formula: C33H57N9O7S2 MolecularWeight: 755.99178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CS)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CS)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CS)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CS)N

InChI

InChI=1S/C33H57N9O7S2/c34-15-7-4-12-23(38-28(43)22(37)19-50)30(45)41-26(18-21-10-2-1-3-11-21)32(47)40-24(13-5-8-16-35)29(44)39-25(14-6-9-17-36)31(46)42-27(20-51)33(48)49/h1-3,10-11,22-27,50-51H,4-9,12-20,34-37H2,(H,38,43)(H,39,44)(H,40,47)(H,41,45)(H,42,46)(H,48,49)