4-[[(2S)-2-[(5-chloranyl-1-methyl-indol-2-yl)carbonylamino]propanoyl]amino]butanoate

Systemtic Name: 4-[[(2S)-2-[(5-chloranyl-1-methyl-indol-2-yl)carbonylamino]propanoyl]amino]butanoate Openeye Name: 4-[[(2S)-2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]propanoyl]amino]butanoate CAS Name: 4-[[(2S)-2-[[(5-chloro-1-methyl-2-indolyl)-oxomethyl]amino]-1-oxopropyl]amino]butanoate IUPAC Name: 4-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]propanoyl]amino]butanoate Traditional Name: 4-[[(2S)-2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]propanoyl]amino]butyrate Formula: C17H19ClN3O4- MolecularWeight: 364.80346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCC(=O)[O-])NC(=O)C1=CC2=C(N1C)C=CC(=C2)Cl

Isomeric SMILES

C[C@@H](C(=O)NCCCC(=O)[O-])NC(=O)C1=CC2=C(N1C)C=CC(=C2)Cl

InChI

InChI=1S/C17H20ClN3O4/c1-10(16(24)19-7-3-4-15(22)23)20-17(25)14-9-11-8-12(18)5-6-13(11)21(14)2/h5-6,8-10H,3-4,7H2,1-2H3,(H,19,24)(H,20,25)(H,22,23)/p-1/t10-/m0/s1