2-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[[2-[(2-amino-3-mercapto-propanoyl)amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-phenyl-propionic acid Formula: C17H24N4O6S MolecularWeight: 412.46066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O6S/c18-11(9-28)15(24)21-13(8-22)16(25)19-7-14(23)20-12(17(26)27)6-10-4-2-1-3-5-10/h1-5,11-13,22,28H,6-9,18H2,(H,19,25)(H,20,23)(H,21,24)(H,26,27)