methyl (2S)-2-[[4-cyclohexyl-4-[oxidanyl-(phenylmethyl)amino]butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[4-cyclohexyl-4-[oxidanyl-(phenylmethyl)amino]butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[4-[benzyl(hydroxy)amino]-4-cyclohexyl-butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[4-cyclohexyl-4-[hydroxy-(phenylmethyl)amino]-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-[benzyl(hydroxy)amino]-4-cyclohexylbutanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-[benzyl(hydroxy)amino]-4-cyclohexyl-butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CCC(C2CCCCC2)N(CC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCC(C2CCCCC2)N(CC3=CC=CC=C3)O

InChI

InChI=1S/C27H36N2O4/c1-33-27(31)24(19-21-11-5-2-6-12-21)28-26(30)18-17-25(23-15-9-4-10-16-23)29(32)20-22-13-7-3-8-14-22/h2-3,5-8,11-14,23-25,32H,4,9-10,15-20H2,1H3,(H,28,30)/t24-,25?/m0/s1