3-[[(2S)-2-[(5-chloranyl-1-methyl-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]propanoic acid

Systemtic Name: 3-[[(2S)-2-[(5-chloranyl-1-methyl-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]propanoic acid Openeye Name: 3-[[(2S)-2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]-4-methyl-pentanoyl]amino]propanoic acid CAS Name: 3-[[(2S)-2-[[(5-chloro-1-methyl-2-indolyl)-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]propanoic acid IUPAC Name: 3-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]propanoic acid Traditional Name: 3-[[(2S)-2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]-4-methyl-pentanoyl]amino]propionic acid Formula: C19H24ClN3O4 MolecularWeight: 393.86456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCC(=O)O)NC(=O)C1=CC2=C(N1C)C=CC(=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN3O4/c1-11(2)8-14(18(26)21-7-6-17(24)25)22-19(27)16-10-12-9-13(20)4-5-15(12)23(16)3/h4-5,9-11,14H,6-8H2,1-3H3,(H,21,26)(H,22,27)(H,24,25)/t14-/m0/s1