(2S)-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2S)-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: (2S)-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(2S)-2-formamido-4-(methylthio)-1-oxobutyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[(2S)-2-formamido-4-(methylthio)butanoyl]amino]-3-(1H-indol-3-yl)propionate Formula: C17H20N3O4S- MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)[O-])NC=O

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-25-7-6-14(19-10-21)16(22)20-15(17(23)24)8-11-9-18-13-5-3-2-4-12(11)13/h2-5,9-10,14-15,18H,6-8H2,1H3,(H,19,21)(H,20,22)(H,23,24)/p-1/t14-,15-/m0/s1