4-[[[(2S)-3-methyl-2-[[(3S,4S)-5-(4-methylphenyl)-4-[(2-naphthalen-1-yl-2-oxidanyl-ethanoyl)amino]-3-oxidanyl-pentanoyl]amino]butanoyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[(2S)-3-methyl-2-[[(3S,4S)-5-(4-methylphenyl)-4-[(2-naphthalen-1-yl-2-oxidanyl-ethanoyl)amino]-3-oxidanyl-pentanoyl]amino]butanoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[(2S)-2-[[(3S,4S)-3-hydroxy-4-[[2-hydroxy-2-(1-naphthyl)acetyl]amino]-5-(p-tolyl)pentanoyl]amino]-3-methyl-butanoyl]amino]methyl]benzoic acid CAS Name: 4-[[[(2S)-2-[[(3S,4S)-3-hydroxy-4-[[2-hydroxy-2-(1-naphthalenyl)-1-oxoethyl]amino]-5-(4-methylphenyl)-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[(2S)-2-[[(3S,4S)-3-hydroxy-4-[(2-hydroxy-2-naphthalen-1-ylacetyl)amino]-5-(4-methylphenyl)pentanoyl]amino]-3-methylbutanoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[(2S)-2-[[(3S,4S)-3-hydroxy-4-[[2-hydroxy-2-(1-naphthyl)acetyl]amino]-5-(p-tolyl)pentanoyl]amino]-3-methyl-butanoyl]amino]methyl]benzoic acid Formula: C37H41N3O7 MolecularWeight: 639.73734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(CC(=O)NC(C(C)C)C(=O)NCC2=CC=C(C=C2)C(=O)O)O)NC(=O)C(C3=CC=CC4=CC=CC=C43)O

Isomeric SMILES

CC1=CC=C(C=C1)C[C@@H]([C@H](CC(=O)N[C@@H](C(C)C)C(=O)NCC2=CC=C(C=C2)C(=O)O)O)NC(=O)C(C3=CC=CC4=CC=CC=C43)O

InChI

InChI=1S/C37H41N3O7/c1-22(2)33(35(44)38-21-25-15-17-27(18-16-25)37(46)47)40-32(42)20-31(41)30(19-24-13-11-23(3)12-14-24)39-36(45)34(43)29-10-6-8-26-7-4-5-9-28(26)29/h4-18,22,30-31,33-34,41,43H,19-21H2,1-3H3,(H,38,44)(H,39,45)(H,40,42)(H,46,47)/t30-,31-,33-,34?/m0/s1