5-azanyl-2-[[4-[3-imidazol-1-yl-2-(1,3-thiazol-2-yl)propyl]-2-phenyl-phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[4-[3-imidazol-1-yl-2-(1,3-thiazol-2-yl)propyl]-2-phenyl-phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[4-(3-imidazol-1-yl-2-thiazol-2-yl-propyl)-2-phenyl-benzoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[[4-[3-(1-imidazolyl)-2-(2-thiazolyl)propyl]-2-phenylphenyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[4-[3-imidazol-1-yl-2-(1,3-thiazol-2-yl)propyl]-2-phenylbenzoyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[4-(3-imidazol-1-yl-2-thiazol-2-yl-propyl)-2-phenyl-benzoyl]amino]-5-keto-valeric acid Formula: C27H27N5O4S MolecularWeight: 517.59938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)CC(CN3C=CN=C3)C4=NC=CS4)C(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)CC(CN3C=CN=C3)C4=NC=CS4)C(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C27H27N5O4S/c28-24(33)9-8-23(27(35)36)31-25(34)21-7-6-18(15-22(21)19-4-2-1-3-5-19)14-20(26-30-11-13-37-26)16-32-12-10-29-17-32/h1-7,10-13,15,17,20,23H,8-9,14,16H2,(H2,28,33)(H,31,34)(H,35,36)