2-[[2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]ethanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]ethanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[2-[[2-[(2-amino-3-mercapto-propanoyl)amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-mercapto-propionic acid Formula: C14H22N6O5S2 MolecularWeight: 418.49168

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)NC(CS)C(=O)O)NC(=O)CNC(=O)C(CS)N

Isomeric SMILES

C1=C(NC=N1)CC(C(=O)NC(CS)C(=O)O)NC(=O)CNC(=O)C(CS)N

InChI

InChI=1S/C14H22N6O5S2/c15-8(4-26)12(22)17-3-11(21)19-9(1-7-2-16-6-18-7)13(23)20-10(5-27)14(24)25/h2,6,8-10,26-27H,1,3-5,15H2,(H,16,18)(H,17,22)(H,19,21)(H,20,23)(H,24,25)