1-azanyl-2-butanoyl-4-(4-methylsulfonylphenyl)-2-oxidanyl-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylic acid

Systemtic Name: 1-azanyl-2-butanoyl-4-(4-methylsulfonylphenyl)-2-oxidanyl-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylic acid Openeye Name: 1-amino-3-(benzyloxycarbonylamino)-2-butanoyl-2-hydroxy-4-(4-methylsulfonylphenyl)cyclopentanecarboxylic acid CAS Name: 1-amino-2-hydroxy-4-(4-methylsulfonylphenyl)-2-(1-oxobutyl)-3-(phenylmethoxycarbonylamino)-1-cyclopentanecarboxylic acid IUPAC Name: 1-amino-2-butanoyl-2-hydroxy-4-(4-methylsulfonylphenyl)-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylic acid Traditional Name: 1-amino-3-(benzyloxycarbonylamino)-2-butyryl-2-hydroxy-4-(4-mesylphenyl)cyclopentanecarboxylic acid Formula: C25H30N2O8S MolecularWeight: 518.5793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1(C(C(CC1(C(=O)O)N)C2=CC=C(C=C2)S(=O)(=O)C)NC(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CCCC(=O)C1(C(C(CC1(C(=O)O)N)C2=CC=C(C=C2)S(=O)(=O)C)NC(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C25H30N2O8S/c1-3-7-20(28)25(32)21(27-23(31)35-15-16-8-5-4-6-9-16)19(14-24(25,26)22(29)30)17-10-12-18(13-11-17)36(2,33)34/h4-6,8-13,19,21,32H,3,7,14-15,26H2,1-2H3,(H,27,31)(H,29,30)