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

Systemtic Name: 2-[2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]propanoylamino]propanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[2-[2-[(2-amino-3-sulfanyl-propanoyl)amino]propanoylamino]propanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[2-[2-[(2-amino-3-sulfanylpropanoyl)amino]propanoylamino]propanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[2-[2-[(2-amino-3-mercapto-propanoyl)amino]propanoylamino]propanoylamino]-3-phenyl-propionic acid Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C)NC(=O)C(CS)N

Isomeric SMILES

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C)NC(=O)C(CS)N

InChI

InChI=1S/C18H26N4O5S/c1-10(21-17(25)13(19)9-28)15(23)20-11(2)16(24)22-14(18(26)27)8-12-6-4-3-5-7-12/h3-7,10-11,13-14,28H,8-9,19H2,1-2H3,(H,20,23)(H,21,25)(H,22,24)(H,26,27)