4-[[(2S)-3-methyl-2-[[(3S,4S)-6-methyl-4-[(2-naphthalen-1-yl-2-oxidanyl-ethanoyl)amino]-3-oxidanyl-heptanoyl]amino]butanoyl]amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(2S)-3-methyl-2-[[(3S,4S)-6-methyl-4-[(2-naphthalen-1-yl-2-oxidanyl-ethanoyl)amino]-3-oxidanyl-heptanoyl]amino]butanoyl]amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(2S)-2-[[(3S,4S)-3-hydroxy-4-[[2-hydroxy-2-(1-naphthyl)acetyl]amino]-6-methyl-heptanoyl]amino]-3-methyl-butanoyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[(2S)-2-[[(3S,4S)-3-hydroxy-4-[[2-hydroxy-2-(1-naphthalenyl)-1-oxoethyl]amino]-6-methyl-1-oxoheptyl]amino]-3-methyl-1-oxobutyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(2S)-2-[[(3S,4S)-3-hydroxy-4-[(2-hydroxy-2-naphthalen-1-ylacetyl)amino]-6-methylheptanoyl]amino]-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(2S)-2-[[(3S,4S)-3-hydroxy-4-[[2-hydroxy-2-(1-naphthyl)acetyl]amino]-6-methyl-heptanoyl]amino]-3-methyl-butanoyl]amino]cyclohexanecarboxylic acid Formula: C32H45N3O7 MolecularWeight: 583.7156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)NC(C(C)C)C(=O)NC1CCC(CC1)C(=O)O)O)NC(=O)C(C2=CC=CC3=CC=CC=C32)O

Isomeric SMILES

CC(C)C[C@@H]([C@H](CC(=O)N[C@@H](C(C)C)C(=O)NC1CCC(CC1)C(=O)O)O)NC(=O)C(C2=CC=CC3=CC=CC=C32)O

InChI

InChI=1S/C32H45N3O7/c1-18(2)16-25(34-31(40)29(38)24-11-7-9-20-8-5-6-10-23(20)24)26(36)17-27(37)35-28(19(3)4)30(39)33-22-14-12-21(13-15-22)32(41)42/h5-11,18-19,21-22,25-26,28-29,36,38H,12-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,37)(H,41,42)/t21?,22?,25-,26-,28-,29?/m0/s1