(2S)-2-[4-(1H-indol-3-yl)butanoylamino]-3-sulfanyl-propanoate

Systemtic Name: (2S)-2-[4-(1H-indol-3-yl)butanoylamino]-3-sulfanyl-propanoate Openeye Name: (2S)-2-[4-(1H-indol-3-yl)butanoylamino]-3-sulfanyl-propanoate CAS Name: (2S)-2-[[4-(1H-indol-3-yl)-1-oxobutyl]amino]-3-mercaptopropanoate IUPAC Name: (2S)-2-[4-(1H-indol-3-yl)butanoylamino]-3-sulfanylpropanoate Traditional Name: (2S)-2-[4-(1H-indol-3-yl)butanoylamino]-3-mercapto-propionate Formula: C15H17N2O3S- MolecularWeight: 305.37208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)NC(CS)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)N[C@H](CS)C(=O)[O-]

InChI

InChI=1S/C15H18N2O3S/c18-14(17-13(9-21)15(19)20)7-3-4-10-8-16-12-6-2-1-5-11(10)12/h1-2,5-6,8,13,16,21H,3-4,7,9H2,(H,17,18)(H,19,20)/p-1/t13-/m1/s1