(2S)-2-[[(2S)-2-azanyl-3-(5-oxidanyl-1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-3-(5-oxidanyl-1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]-3-methyl-butyric acid Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CC1=CNC2=C1C=C(C=C2)O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CC1=CNC2=C1C=C(C=C2)O)N

InChI

InChI=1S/C16H21N3O4/c1-8(2)14(16(22)23)19-15(21)12(17)5-9-7-18-13-4-3-10(20)6-11(9)13/h3-4,6-8,12,14,18,20H,5,17H2,1-2H3,(H,19,21)(H,22,23)/t12-,14-/m0/s1