2-azanyl-3-[(5-chloranyl-1H-indol-2-yl)carbonyl]-3-phenyl-2-propanoyl-piperazine-1-carboxylic acid

Systemtic Name: 2-azanyl-3-[(5-chloranyl-1H-indol-2-yl)carbonyl]-3-phenyl-2-propanoyl-piperazine-1-carboxylic acid Openeye Name: 2-amino-3-(5-chloro-1H-indole-2-carbonyl)-3-phenyl-2-propanoyl-piperazine-1-carboxylic acid CAS Name: 2-amino-3-[(5-chloro-1H-indol-2-yl)-oxomethyl]-2-(1-oxopropyl)-3-phenyl-1-piperazinecarboxylic acid IUPAC Name: 2-amino-3-(5-chloro-1H-indole-2-carbonyl)-3-phenyl-2-propanoylpiperazine-1-carboxylic acid Traditional Name: 2-amino-3-(5-chloro-1H-indole-2-carbonyl)-3-phenyl-2-propionyl-piperazine-1-carboxylic acid Formula: C23H23ClN4O4 MolecularWeight: 454.90612

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(C(NCCN1C(=O)O)(C2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=CC(=C4)Cl)N

Isomeric SMILES

CCC(=O)C1(C(NCCN1C(=O)O)(C2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=CC(=C4)Cl)N

InChI

InChI=1S/C23H23ClN4O4/c1-2-19(29)23(25)22(15-6-4-3-5-7-15,26-10-11-28(23)21(31)32)20(30)18-13-14-12-16(24)8-9-17(14)27-18/h3-9,12-13,26-27H,2,10-11,25H2,1H3,(H,31,32)