2-[[(2S)-2-[(5-chloranyl-1-methyl-indol-2-yl)carbonylamino]-3-phenyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-[(5-chloranyl-1-methyl-indol-2-yl)carbonylamino]-3-phenyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]-3-phenyl-propanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-[[(5-chloro-1-methyl-2-indolyl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]-3-phenyl-propanoyl]amino]acetic acid Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C=C1C(=O)NC(CC3=CC=CC=C3)C(=O)NCC(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C=C1C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)O

InChI

InChI=1S/C21H20ClN3O4/c1-25-17-8-7-15(22)10-14(17)11-18(25)21(29)24-16(20(28)23-12-19(26)27)9-13-5-3-2-4-6-13/h2-8,10-11,16H,9,12H2,1H3,(H,23,28)(H,24,29)(H,26,27)/t16-/m0/s1