2,3-bis(azanyl)propane-1-thiol; methyl 3-methyl-4-methylsulfanyl-2-[(3-pentoxy-3-phenyl-propanoyl)amino]butanoate

Systemtic Name: 2,3-bis(azanyl)propane-1-thiol; methyl 3-methyl-4-methylsulfanyl-2-[(3-pentoxy-3-phenyl-propanoyl)amino]butanoate Openeye Name: 2,3-diaminopropane-1-thiol; methyl 3-methyl-4-methylsulfanyl-2-[(3-pentoxy-3-phenyl-propanoyl)amino]butanoate CAS Name: 2,3-diamino-1-propanethiol; 3-methyl-4-(methylthio)-2-[(1-oxo-3-pentoxy-3-phenylpropyl)amino]butanoic acid methyl ester IUPAC Name: 2,3-diaminopropane-1-thiol; methyl 3-methyl-4-methylsulfanyl-2-[(3-pentoxy-3-phenylpropanoyl)amino]butanoate Traditional Name: 2-[(3-amoxy-3-phenyl-propanoyl)amino]-3-methyl-4-(methylthio)butyric acid methyl ester; 2,3-diaminopropane-1-thiol Formula: C24H43N3O4S2 MolecularWeight: 501.74592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(CC(=O)NC(C(C)CSC)C(=O)OC)C1=CC=CC=C1.C(C(CS)N)N

Isomeric SMILES

CCCCCOC(CC(=O)NC(C(C)CSC)C(=O)OC)C1=CC=CC=C1.C(C(CS)N)N

InChI

InChI=1S/C21H33NO4S.C3H10N2S/c1-5-6-10-13-26-18(17-11-8-7-9-12-17)14-19(23)22-20(21(24)25-3)16(2)15-27-4;4-1-3(5)2-6/h7-9,11-12,16,18,20H,5-6,10,13-15H2,1-4H3,(H,22,23);3,6H,1-2,4-5H2