pentanoyl 2-acetamido-1-azanyl-4-(3-cyclopentylphenyl)-4-ethyl-5-(5-methyl-1H-imidazol-4-yl)-3-sulfonyl-piperidine-2-carboxylate

Systemtic Name: pentanoyl 2-acetamido-1-azanyl-4-(3-cyclopentylphenyl)-4-ethyl-5-(5-methyl-1H-imidazol-4-yl)-3-sulfonyl-piperidine-2-carboxylate Openeye Name: pentanoyl 2-acetamido-1-amino-4-(3-cyclopentylphenyl)-4-ethyl-5-(5-methyl-1H-imidazol-4-yl)-3-sulfonyl-piperidine-2-carboxylate CAS Name: 2-acetamido-1-amino-4-(3-cyclopentylphenyl)-4-ethyl-5-(5-methyl-1H-imidazol-4-yl)-3-sulfonyl-2-piperidinecarboxylic acid 1-oxopentyl ester IUPAC Name: pentanoyl 2-acetamido-1-amino-4-(3-cyclopentylphenyl)-4-ethyl-5-(5-methyl-1H-imidazol-4-yl)-3-sulfonylpiperidine-2-carboxylate Traditional Name: 2-acetamido-1-amino-4-(3-cyclopentylphenyl)-4-ethyl-5-(5-methyl-1H-imidazol-4-yl)-3-sulfonyl-pipecolinic acid valeryl ester Formula: C30H41N5O6S MolecularWeight: 599.74144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(=O)C1(C(=S(=O)=O)C(C(CN1N)C2=C(NC=N2)C)(CC)C3=CC=CC(=C3)C4CCCC4)NC(=O)C

Isomeric SMILES

CCCCC(=O)OC(=O)C1(C(=S(=O)=O)C(C(CN1N)C2=C(NC=N2)C)(CC)C3=CC=CC(=C3)C4CCCC4)NC(=O)C

InChI

InChI=1S/C30H41N5O6S/c1-5-7-15-25(37)41-28(38)30(34-20(4)36)27(42(39)40)29(6-2,24(17-35(30)31)26-19(3)32-18-33-26)23-14-10-13-22(16-23)21-11-8-9-12-21/h10,13-14,16,18,21,24H,5-9,11-12,15,17,31H2,1-4H3,(H,32,33)(H,34,36)