phenacyl 2-[[4-azanyl-2-[(2-azanyl-4-methyl-pentanoyl)amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoate hydrochloride

Systemtic Name: phenacyl 2-[[4-azanyl-2-[(2-azanyl-4-methyl-pentanoyl)amino]-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoate hydrochloride Openeye Name: phenacyl 2-[[4-amino-2-[(2-amino-4-methyl-pentanoyl)amino]-4-oxo-butanoyl]amino]-3-hydroxy-propanoate hydrochloride CAS Name: 2-[[4-amino-2-[(2-amino-4-methyl-1-oxopentyl)amino]-1,4-dioxobutyl]amino]-3-hydroxypropanoic acid phenacyl ester hydrochloride IUPAC Name: phenacyl 2-[[4-amino-2-[(2-amino-4-methylpentanoyl)amino]-4-oxobutanoyl]amino]-3-hydroxypropanoate hydrochloride Traditional Name: 2-[[4-amino-2-[(2-amino-4-methyl-pentanoyl)amino]-4-keto-butanoyl]amino]-3-hydroxy-propionic acid phenacyl ester hydrochloride Formula: C21H31ClN4O7 MolecularWeight: 486.94644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)OCC(=O)C1=CC=CC=C1)N.Cl

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)OCC(=O)C1=CC=CC=C1)N.Cl

InChI

InChI=1S/C21H30N4O7.ClH/c1-12(2)8-14(22)19(29)24-15(9-18(23)28)20(30)25-16(10-26)21(31)32-11-17(27)13-6-4-3-5-7-13;/h3-7,12,14-16,26H,8-11,22H2,1-2H3,(H2,23,28)(H,24,29)(H,25,30);1H