(2S)-2-[[5-[2-(1H-imidazol-5-yl)ethanoylamino]-3-methyl-pentoxy]-(3-naphthalen-2-ylpropanoyl)amino]-4-methylsulfonyl-butanoic acid

Systemtic Name: (2S)-2-[[5-[2-(1H-imidazol-5-yl)ethanoylamino]-3-methyl-pentoxy]-(3-naphthalen-2-ylpropanoyl)amino]-4-methylsulfonyl-butanoic acid Openeye Name: (2S)-2-[[5-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-methyl-pentoxy]-[3-(2-naphthyl)propanoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: (2S)-2-[[5-[[2-(1H-imidazol-5-yl)-1-oxoethyl]amino]-3-methylpentoxy]-[3-(2-naphthalenyl)-1-oxopropyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: (2S)-2-[[5-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-methylpentoxy]-(3-naphthalen-2-ylpropanoyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: (2S)-2-[[5-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-methyl-pentoxy]-[3-(2-naphthyl)propanoyl]amino]-4-mesyl-butyric acid Formula: C29H38N4O7S MolecularWeight: 586.69962

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)CC1=CN=CN1)CCON(C(CCS(=O)(=O)C)C(=O)O)C(=O)CCC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(CCNC(=O)CC1=CN=CN1)CCON([C@@H](CCS(=O)(=O)C)C(=O)O)C(=O)CCC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C29H38N4O7S/c1-21(11-14-31-27(34)18-25-19-30-20-32-25)12-15-40-33(26(29(36)37)13-16-41(2,38)39)28(35)10-8-22-7-9-23-5-3-4-6-24(23)17-22/h3-7,9,17,19-21,26H,8,10-16,18H2,1-2H3,(H,30,32)(H,31,34)(H,36,37)/t21?,26-/m0/s1