(2S)-4-[[(4S,5S,7S)-2-methyl-7-(2-methylpropylcarbamoyl)-5-oxidanyl-nonan-4-yl]amino]-2-(2-naphthalen-1-yloxyethanoylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-[[(4S,5S,7S)-2-methyl-7-(2-methylpropylcarbamoyl)-5-oxidanyl-nonan-4-yl]amino]-2-(2-naphthalen-1-yloxyethanoylamino)-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-[[(1S,2S,4S)-2-hydroxy-1-isobutyl-4-(isobutylcarbamoyl)hexyl]amino]-2-[[2-(1-naphthyloxy)acetyl]amino]-4-oxo-butanoic acid CAS Name: (2S)-4-[[(4S,5S,7S)-5-hydroxy-2-methyl-7-[(2-methylpropylamino)-oxomethyl]nonan-4-yl]amino]-2-[[2-(1-naphthalenyloxy)-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-[[(4S,5S,7S)-5-hydroxy-2-methyl-7-(2-methylpropylcarbamoyl)nonan-4-yl]amino]-2-[(2-naphthalen-1-yloxyacetyl)amino]-4-oxobutanoic acid Traditional Name: (2S)-4-[[(1S,2S,4S)-2-hydroxy-1-isobutyl-4-(isobutylcarbamoyl)hexyl]amino]-4-keto-2-[[2-(1-naphthoxy)acetyl]amino]butyric acid Formula: C31H45N3O7 MolecularWeight: 571.7049

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C(CC(C)C)NC(=O)CC(C(=O)O)NC(=O)COC1=CC=CC2=CC=CC=C21)O)C(=O)NCC(C)C

Isomeric SMILES

CC[C@@H](C[C@@H]([C@H](CC(C)C)NC(=O)C[C@@H](C(=O)O)NC(=O)COC1=CC=CC2=CC=CC=C21)O)C(=O)NCC(C)C

InChI

InChI=1S/C31H45N3O7/c1-6-21(30(38)32-17-20(4)5)15-26(35)24(14-19(2)3)33-28(36)16-25(31(39)40)34-29(37)18-41-27-13-9-11-22-10-7-8-12-23(22)27/h7-13,19-21,24-26,35H,6,14-18H2,1-5H3,(H,32,38)(H,33,36)(H,34,37)(H,39,40)/t21-,24-,25-,26-/m0/s1