(2S)-2-azanyl-5-[[(2R)-3-[[4-(2-methoxyphenyl)phenyl]methylsulfanyl]-1-oxidanylidene-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[[(2R)-3-[[4-(2-methoxyphenyl)phenyl]methylsulfanyl]-1-oxidanylidene-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[[(1R)-1-[[4-(2-methoxyphenyl)phenyl]methylsulfanylmethyl]-2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[(2R)-3-[[4-(2-methoxyphenyl)phenyl]methylthio]-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[[(2R)-3-[[4-(2-methoxyphenyl)phenyl]methylsulfanyl]-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-[[(1R)-2-keto-1-[[[4-(2-methoxyphenyl)benzyl]thio]methyl]-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]valeric acid Formula: C30H35N3O5S MolecularWeight: 549.681

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(CSCC2=CC=C(C=C2)C3=CC=CC=C3OC)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)[C@H](CSCC2=CC=C(C=C2)C3=CC=CC=C3OC)NC(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C30H35N3O5S/c1-20(22-8-4-3-5-9-22)32-29(35)26(33-28(34)17-16-25(31)30(36)37)19-39-18-21-12-14-23(15-13-21)24-10-6-7-11-27(24)38-2/h3-15,20,25-26H,16-19,31H2,1-2H3,(H,32,35)(H,33,34)(H,36,37)/t20-,25-,26-/m0/s1