(2S)-2-[(5-chloranyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-indol-1-yl)carbonylcarbamoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(5-chloranyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-indol-1-yl)carbonylcarbamoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carbonyl]carbamoylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[[[5-chloro-2-hydroxy-3-[oxo(thiophen-2-yl)methyl]-1-indolyl]-oxomethyl]amino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carbonyl]carbamoylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[5-chloro-2-hydroxy-3-(2-thenoyl)indole-1-carbonyl]carbamoylamino]-3-phenyl-propionic acid Formula: C24H18ClN3O6S MolecularWeight: 511.93422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)NC(=O)N2C3=C(C=C(C=C3)Cl)C(=C2O)C(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)NC(=O)N2C3=C(C=C(C=C3)Cl)C(=C2O)C(=O)C4=CC=CS4

InChI

InChI=1S/C24H18ClN3O6S/c25-14-8-9-17-15(12-14)19(20(29)18-7-4-10-35-18)21(30)28(17)24(34)27-23(33)26-16(22(31)32)11-13-5-2-1-3-6-13/h1-10,12,16,30H,11H2,(H,31,32)(H2,26,27,33,34)/t16-/m0/s1