[1-[[2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-pentanoyl]amino]-3-phenyl-propyl] 2-azanyl-4-methylsulfanyl-butanoate

Systemtic Name: [1-[[2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-pentanoyl]amino]-3-phenyl-propyl] 2-azanyl-4-methylsulfanyl-butanoate Openeye Name: [1-[[2-[(2-amino-3-sulfanyl-propyl)amino]-3-methyl-pentanoyl]amino]-3-phenyl-propyl] 2-amino-4-methylsulfanyl-butanoate CAS Name: 2-amino-4-(methylthio)butanoic acid [1-[[2-[(2-amino-3-mercaptopropyl)amino]-3-methyl-1-oxopentyl]amino]-3-phenylpropyl] ester IUPAC Name: [1-[[2-[(2-amino-3-sulfanylpropyl)amino]-3-methylpentanoyl]amino]-3-phenylpropyl] 2-amino-4-methylsulfanylbutanoate Traditional Name: 2-amino-4-(methylthio)butyric acid [1-[[2-[(2-amino-3-mercapto-propyl)amino]-3-methyl-pentanoyl]amino]-3-phenyl-propyl] ester Formula: C23H40N4O3S2 MolecularWeight: 484.7187

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC1=CC=CC=C1)OC(=O)C(CCSC)N)NCC(CS)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CCC1=CC=CC=C1)OC(=O)C(CCSC)N)NCC(CS)N

InChI

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