2-[(2-azanyl-3-phenyl-propanoyl)-[1-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-pentyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)-[1-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-pentyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)-[1-[(2-amino-3-sulfanyl-propyl)amino]-3-methyl-pentyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[1-[(2-amino-3-mercaptopropyl)amino]-3-methylpentyl]-(2-amino-1-oxo-3-phenylpropyl)amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)-[1-[(2-amino-3-sulfanylpropyl)amino]-3-methylpentyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[1-[(2-amino-3-mercapto-propyl)amino]-3-methyl-pentyl]-phenylalanyl-amino]-4-(methylthio)butyric acid Formula: C23H40N4O3S2 MolecularWeight: 484.7187

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(NCC(CS)N)N(C(CCSC)C(=O)O)C(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

CCC(C)CC(NCC(CS)N)N(C(CCSC)C(=O)O)C(=O)C(CC1=CC=CC=C1)N

InChI

InChI=1S/C23H40N4O3S2/c1-4-16(2)12-21(26-14-18(24)15-31)27(20(23(29)30)10-11-32-3)22(28)19(25)13-17-8-6-5-7-9-17/h5-9,16,18-21,26,31H,4,10-15,24-25H2,1-3H3,(H,29,30)