(2S)-4-[[(2S,3S,5R)-5-(2-methylpropylcarbamoyl)-3-oxidanyl-1-phenyl-heptan-2-yl]amino]-2-(3-naphthalen-1-ylpropanoylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-[[(2S,3S,5R)-5-(2-methylpropylcarbamoyl)-3-oxidanyl-1-phenyl-heptan-2-yl]amino]-2-(3-naphthalen-1-ylpropanoylamino)-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-[[(1S,2S,4R)-1-benzyl-2-hydroxy-4-(isobutylcarbamoyl)hexyl]amino]-2-[3-(1-naphthyl)propanoylamino]-4-oxo-butanoic acid CAS Name: (2S)-4-[[(2S,3S,5R)-3-hydroxy-5-[(2-methylpropylamino)-oxomethyl]-1-phenylheptan-2-yl]amino]-2-[[3-(1-naphthalenyl)-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-[[(2S,3S,5R)-3-hydroxy-5-(2-methylpropylcarbamoyl)-1-phenylheptan-2-yl]amino]-2-(3-naphthalen-1-ylpropanoylamino)-4-oxobutanoic acid Traditional Name: (2S)-4-[[(1S,2S,4R)-1-benzyl-2-hydroxy-4-(isobutylcarbamoyl)hexyl]amino]-4-keto-2-[3-(1-naphthyl)propanoylamino]butyric acid Formula: C35H45N3O6 MolecularWeight: 603.7483

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C(CC1=CC=CC=C1)NC(=O)CC(C(=O)O)NC(=O)CCC2=CC=CC3=CC=CC=C32)O)C(=O)NCC(C)C

Isomeric SMILES

CC[C@H](C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)C[C@@H](C(=O)O)NC(=O)CCC2=CC=CC3=CC=CC=C32)O)C(=O)NCC(C)C

InChI

InChI=1S/C35H45N3O6/c1-4-25(34(42)36-22-23(2)3)20-31(39)29(19-24-11-6-5-7-12-24)37-33(41)21-30(35(43)44)38-32(40)18-17-27-15-10-14-26-13-8-9-16-28(26)27/h5-16,23,25,29-31,39H,4,17-22H2,1-3H3,(H,36,42)(H,37,41)(H,38,40)(H,43,44)/t25-,29+,30+,31+/m1/s1