S-(phenylmethyl) 6-azanyl-2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-4-methyl-pentanoyl]amino]hexanethioate

Systemtic Name: S-(phenylmethyl) 6-azanyl-2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-4-methyl-pentanoyl]amino]hexanethioate Openeye Name: S-benzyl 6-amino-2-[[2-[(2-amino-3-methyl-butanoyl)amino]-4-methyl-pentanoyl]amino]hexanethioate CAS Name: 6-amino-2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-4-methyl-1-oxopentyl]amino]hexanethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]hexanethioate Traditional Name: 6-amino-2-[[2-[(2-amino-3-methyl-butanoyl)amino]-4-methyl-pentanoyl]amino]hexanethioic acid S-benzyl ester Formula: C24H40N4O3S MolecularWeight: 464.6644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCCN)C(=O)SCC1=CC=CC=C1)NC(=O)C(C(C)C)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCCCN)C(=O)SCC1=CC=CC=C1)NC(=O)C(C(C)C)N

InChI

InChI=1S/C24H40N4O3S/c1-16(2)14-20(28-23(30)21(26)17(3)4)22(29)27-19(12-8-9-13-25)24(31)32-15-18-10-6-5-7-11-18/h5-7,10-11,16-17,19-21H,8-9,12-15,25-26H2,1-4H3,(H,27,29)(H,28,30)