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

Systemtic Name: 6-azanyl-2-[[2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-mercapto-propanoyl]amino]hexanoic acid Formula: C20H29N5O4S MolecularWeight: 435.54036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O4S/c21-8-4-3-7-16(20(28)29)24-19(27)17(11-30)25-18(26)14(22)9-12-10-23-15-6-2-1-5-13(12)15/h1-2,5-6,10,14,16-17,23,30H,3-4,7-9,11,21-22H2,(H,24,27)(H,25,26)(H,28,29)