2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]butanedioic acid

Systemtic Name: 2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]butanedioic acid Openeye Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]butanedioic acid CAS Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]butanedioic acid IUPAC Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]butanedioic acid Traditional Name: 2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-mercapto-propanoyl]amino]succinic acid Formula: C18H22N4O6S MolecularWeight: 422.45548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CS)C(=O)NC(CC(=O)O)C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC(CS)C(=O)NC(CC(=O)O)C(=O)O)N

InChI

InChI=1S/C18H22N4O6S/c19-11(5-9-7-20-12-4-2-1-3-10(9)12)16(25)22-14(8-29)17(26)21-13(18(27)28)6-15(23)24/h1-4,7,11,13-14,20,29H,5-6,8,19H2,(H,21,26)(H,22,25)(H,23,24)(H,27,28)