2-[[4-azanyl-2-[[2-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]propanoylamino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-azanyl-2-[[2-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]propanoylamino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-amino-2-[[2-[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]propanoylamino]-3-phenyl-propanoyl]amino]-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[4-amino-2-[[2-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1,4-dioxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-amino-2-[[2-[2-[(2-amino-4-methylsulfanylbutanoyl)amino]propanoylamino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-amino-2-[[2-[2-[[2-amino-4-(methylthio)butanoyl]amino]propanoylamino]-3-phenyl-propanoyl]amino]-4-keto-butanoyl]amino]-3-phenyl-propionic acid Formula: C30H40N6O7S MolecularWeight: 628.7396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)N)C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C(CCSC)N

Isomeric SMILES

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)N)C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C(CCSC)N

InChI

InChI=1S/C30H40N6O7S/c1-18(33-27(39)21(31)13-14-44-2)26(38)34-22(15-19-9-5-3-6-10-19)28(40)35-23(17-25(32)37)29(41)36-24(30(42)43)16-20-11-7-4-8-12-20/h3-12,18,21-24H,13-17,31H2,1-2H3,(H2,32,37)(H,33,39)(H,34,38)(H,35,40)(H,36,41)(H,42,43)