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

Systemtic Name: (2S)-4-[[(2S,3S,5R)-5-(2-methylpropylcarbamoyl)-3-oxidanyl-1-phenyl-heptan-2-yl]amino]-2-(2-naphthalen-1-yloxypropanoylamino)-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-[[(1S,2S,4R)-1-benzyl-2-hydroxy-4-(isobutylcarbamoyl)hexyl]amino]-2-[2-(1-naphthyloxy)propanoylamino]-4-oxo-butanoic acid CAS Name: (2S)-4-[[(2S,3S,5R)-3-hydroxy-5-[(2-methylpropylamino)-oxomethyl]-1-phenylheptan-2-yl]amino]-2-[[2-(1-naphthalenyloxy)-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-[[(2S,3S,5R)-3-hydroxy-5-(2-methylpropylcarbamoyl)-1-phenylheptan-2-yl]amino]-2-(2-naphthalen-1-yloxypropanoylamino)-4-oxobutanoic acid Traditional Name: (2S)-4-[[(1S,2S,4R)-1-benzyl-2-hydroxy-4-(isobutylcarbamoyl)hexyl]amino]-4-keto-2-[2-(1-naphthoxy)propanoylamino]butyric acid Formula: C35H45N3O7 MolecularWeight: 619.7477

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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)C(C)OC2=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)C(C)OC2=CC=CC3=CC=CC=C32)O)C(=O)NCC(C)C

InChI

InChI=1S/C35H45N3O7/c1-5-25(34(42)36-21-22(2)3)19-30(39)28(18-24-12-7-6-8-13-24)37-32(40)20-29(35(43)44)38-33(41)23(4)45-31-17-11-15-26-14-9-10-16-27(26)31/h6-17,22-23,25,28-30,39H,5,18-21H2,1-4H3,(H,36,42)(H,37,40)(H,38,41)(H,43,44)/t23?,25-,28+,29+,30+/m1/s1