2-[2-[[2-[[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]ethanoylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2-[[2-[[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]ethanoylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-3-hydroxy-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[(2-amino-3-mercapto-propanoyl)amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C34H41N9O8S MolecularWeight: 735.80984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CN=CN2)C(=O)NCC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)NC(=O)C(CO)NC(=O)C(CS)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CN=CN2)C(=O)NCC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)NC(=O)C(CO)NC(=O)C(CS)N

InChI

InChI=1S/C34H41N9O8S/c35-23(17-52)30(46)43-28(16-44)33(49)41-25(10-19-6-2-1-3-7-19)32(48)42-26(12-21-14-36-18-39-21)31(47)38-15-29(45)40-27(34(50)51)11-20-13-37-24-9-5-4-8-22(20)24/h1-9,13-14,18,23,25-28,37,44,52H,10-12,15-17,35H2,(H,36,39)(H,38,47)(H,40,45)(H,41,49)(H,42,48)(H,43,46)(H,50,51)