4-[(1-azanyl-1-oxidanylidene-3-phenyl-3-sulfanylidene-propan-2-yl)-phenylmethoxycarbonyl-amino]-3-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(1-azanyl-1-oxidanylidene-3-phenyl-3-sulfanylidene-propan-2-yl)-phenylmethoxycarbonyl-amino]-3-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-amino-1-(benzenecarbonothioyl)-2-oxo-ethyl]-benzyloxycarbonyl-amino]-3-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-methyl-1-oxopentyl]amino]-4-[(1-amino-1-oxo-3-phenyl-3-sulfanylidenepropan-2-yl)-phenylmethoxycarbonylamino]-4-oxobutanoic acid IUPAC Name: 4-[(1-amino-1-oxo-3-phenyl-3-sulfanylidenepropan-2-yl)-phenylmethoxycarbonylamino]-3-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid Traditional Name: 4-[[2-amino-1-(benzenecarbonothioyl)-2-keto-ethyl]-carbobenzoxy-amino]-4-keto-3-[[4-methyl-2-(phenylalanylamino)pentanoyl]amino]butyric acid Formula: C36H41N5O8S MolecularWeight: 703.80444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)N(C(C(=S)C1=CC=CC=C1)C(=O)N)C(=O)OCC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)N(C(C(=S)C1=CC=CC=C1)C(=O)N)C(=O)OCC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C36H41N5O8S/c1-22(2)18-27(39-33(45)26(37)19-23-12-6-3-7-13-23)34(46)40-28(20-29(42)43)35(47)41(36(48)49-21-24-14-8-4-9-15-24)30(32(38)44)31(50)25-16-10-5-11-17-25/h3-17,22,26-28,30H,18-21,37H2,1-2H3,(H2,38,44)(H,39,45)(H,40,46)(H,42,43)