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

Systemtic Name: 2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[(2-amino-3-mercapto-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-phenyl-propionic acid Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C(CS)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C(CS)N

InChI

InChI=1S/C21H25N3O4S/c22-16(13-29)19(25)23-17(11-14-7-3-1-4-8-14)20(26)24-18(21(27)28)12-15-9-5-2-6-10-15/h1-10,16-18,29H,11-13,22H2,(H,23,25)(H,24,26)(H,27,28)