methyl (2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4/c1-9(20)14(17)15(21)19-13(16(22)23-2)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18,20H,7,17H2,1-2H3,(H,19,21)/t9-,13+,14+/m1/s1