(2S)-2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanamide; ethanoic acid

Systemtic Name: (2S)-2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanamide; ethanoic acid Openeye Name: acetic acid; (2S)-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanamide CAS Name: acetic acid; (2S)-2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methylpentanamide IUPAC Name: acetic acid; (2S)-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanamide Traditional Name: acetic acid; (2S)-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-valeramide Formula: C19H28N4O4 MolecularWeight: 376.45002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)C(CC1=CNC2=CC=CC=C21)N.CC(=O)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)N)NC(=O)C(CC1=CNC2=CC=CC=C21)N.CC(=O)O

InChI

InChI=1S/C17H24N4O2.C2H4O2/c1-10(2)7-15(16(19)22)21-17(23)13(18)8-11-9-20-14-6-4-3-5-12(11)14;1-2(3)4/h3-6,9-10,13,15,20H,7-8,18H2,1-2H3,(H2,19,22)(H,21,23);1H3,(H,3,4)/t13?,15-;/m0./s1