(2R,5S)-3-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-1-(4-tert-butylphenyl)carbonyl-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-2H-pyrrole-5-carboxylic acid

Systemtic Name: (2R,5S)-3-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-1-(4-tert-butylphenyl)carbonyl-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-2H-pyrrole-5-carboxylic acid Openeye Name: (2R,5S)-3-[(3-amino-3-oxo-propyl)carbamoyl]-1-(4-tert-butylbenzoyl)-5-isobutyl-2-thiazol-2-yl-2H-pyrrole-5-carboxylic acid CAS Name: (2R,5S)-3-[[(3-amino-3-oxopropyl)amino]-oxomethyl]-1-[(4-tert-butylphenyl)-oxomethyl]-5-(2-methylpropyl)-2-(2-thiazolyl)-2H-pyrrole-5-carboxylic acid IUPAC Name: (2R,5S)-3-[(3-amino-3-oxopropyl)carbamoyl]-1-(4-tert-butylbenzoyl)-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-2H-pyrrole-5-carboxylic acid Traditional Name: (2S,5R)-4-[(3-amino-3-keto-propyl)carbamoyl]-1-(4-tert-butylbenzoyl)-2-isobutyl-5-thiazol-2-yl-3-pyrroline-2-carboxylic acid Formula: C27H34N4O5S MolecularWeight: 526.64766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(C=C(C(N1C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC=CS3)C(=O)NCCC(=O)N)C(=O)O

Isomeric SMILES

CC(C)C[C@]1(C=C([C@@H](N1C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC=CS3)C(=O)NCCC(=O)N)C(=O)O

InChI

InChI=1S/C27H34N4O5S/c1-16(2)14-27(25(35)36)15-19(22(33)29-11-10-20(28)32)21(23-30-12-13-37-23)31(27)24(34)17-6-8-18(9-7-17)26(3,4)5/h6-9,12-13,15-16,21H,10-11,14H2,1-5H3,(H2,28,32)(H,29,33)(H,35,36)/t21-,27+/m1/s1