butan-2-yl 2-[[2-[(2-acetamido-3-naphthalen-1-yl-propanoyl)amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-6-methyl-2-oxidanyl-heptanoate

Systemtic Name: butan-2-yl 2-[[2-[(2-acetamido-3-naphthalen-1-yl-propanoyl)amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-6-methyl-2-oxidanyl-heptanoate Openeye Name: sec-butyl 2-[[2-[[2-acetamido-3-(1-naphthyl)propanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-2-hydroxy-6-methyl-heptanoate CAS Name: 2-[[2-[[2-acetamido-3-(1-naphthalenyl)-1-oxopropyl]amino]-3-(4H-imidazol-4-yl)-1-oxopropyl]amino]-2-hydroxy-6-methylheptanoic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[[2-[(2-acetamido-3-naphthalen-1-ylpropanoyl)amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-2-hydroxy-6-methylheptanoate Traditional Name: 2-[[2-[[2-acetamido-3-(1-naphthyl)propanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-2-hydroxy-6-methyl-enanthic acid sec-butyl ester Formula: C33H45N5O6 MolecularWeight: 607.7403

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C(CCCC(C)C)(NC(=O)C(CC1C=NC=N1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)NC(=O)C)O

Isomeric SMILES

CCC(C)OC(=O)C(CCCC(C)C)(NC(=O)C(CC1C=NC=N1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)NC(=O)C)O

InChI

InChI=1S/C33H45N5O6/c1-6-22(4)44-32(42)33(43,16-10-11-21(2)3)38-31(41)29(18-26-19-34-20-35-26)37-30(40)28(36-23(5)39)17-25-14-9-13-24-12-7-8-15-27(24)25/h7-9,12-15,19-22,26,28-29,43H,6,10-11,16-18H2,1-5H3,(H,36,39)(H,37,40)(H,38,41)