[(2-azanyl-3-sulfanyl-propyl)amino] 2-[(2-azanyl-3,3-dimethyl-pentanoyl)-pentyl-amino]-4-oxidanyl-butanoate

Systemtic Name: [(2-azanyl-3-sulfanyl-propyl)amino] 2-[(2-azanyl-3,3-dimethyl-pentanoyl)-pentyl-amino]-4-oxidanyl-butanoate Openeye Name: [(2-amino-3-sulfanyl-propyl)amino] 2-[(2-amino-3,3-dimethyl-pentanoyl)-pentyl-amino]-4-hydroxy-butanoate CAS Name: 2-[(2-amino-3,3-dimethyl-1-oxopentyl)-pentylamino]-4-hydroxybutanoic acid [(2-amino-3-mercaptopropyl)amino] ester IUPAC Name: [(2-amino-3-sulfanylpropyl)amino] 2-[(2-amino-3,3-dimethylpentanoyl)-pentylamino]-4-hydroxybutanoate Traditional Name: 2-[(2-amino-3,3-dimethyl-pentanoyl)-amyl-amino]-4-hydroxy-butyric acid [(2-amino-3-mercapto-propyl)amino] ester Formula: C19H40N4O4S MolecularWeight: 420.6103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C(CCO)C(=O)ONCC(CS)N)C(=O)C(C(C)(C)CC)N

Isomeric SMILES

CCCCCN(C(CCO)C(=O)ONCC(CS)N)C(=O)C(C(C)(C)CC)N

InChI

InChI=1S/C19H40N4O4S/c1-5-7-8-10-23(17(25)16(21)19(3,4)6-2)15(9-11-24)18(26)27-22-12-14(20)13-28/h14-16,22,24,28H,5-13,20-21H2,1-4H3