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

Systemtic Name: 2-[[2-[[2-[[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[[2-[[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[[2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-amino-4-(methylthio)butanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propionic acid Formula: C35H51N5O6S MolecularWeight: 669.87434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H51N5O6S/c1-6-23(4)30(40-31(41)26(36)17-18-47-5)34(44)38-27(19-22(2)3)32(42)37-28(20-24-13-9-7-10-14-24)33(43)39-29(35(45)46)21-25-15-11-8-12-16-25/h7-16,22-23,26-30H,6,17-21,36H2,1-5H3,(H,37,42)(H,38,44)(H,39,43)(H,40,41)(H,45,46)