methyl 3-[2-[4-(2-azanyl-1,3-thiazol-4-yl)butanoylamino]ethanoylamino]-5-phenyl-pentanoate

Systemtic Name: methyl 3-[2-[4-(2-azanyl-1,3-thiazol-4-yl)butanoylamino]ethanoylamino]-5-phenyl-pentanoate Openeye Name: methyl 3-[[2-[4-(2-aminothiazol-4-yl)butanoylamino]acetyl]amino]-5-phenyl-pentanoate CAS Name: 3-[[2-[[4-(2-amino-4-thiazolyl)-1-oxobutyl]amino]-1-oxoethyl]amino]-5-phenylpentanoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(2-amino-1,3-thiazol-4-yl)butanoylamino]acetyl]amino]-5-phenylpentanoate Traditional Name: 3-[[2-[4-(2-aminothiazol-4-yl)butanoylamino]acetyl]amino]-5-phenyl-valeric acid methyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CCC1=CC=CC=C1)NC(=O)CNC(=O)CCCC2=CSC(=N2)N

Isomeric SMILES

COC(=O)CC(CCC1=CC=CC=C1)NC(=O)CNC(=O)CCCC2=CSC(=N2)N

InChI

InChI=1S/C21H28N4O4S/c1-29-20(28)12-16(11-10-15-6-3-2-4-7-15)24-19(27)13-23-18(26)9-5-8-17-14-30-21(22)25-17/h2-4,6-7,14,16H,5,8-13H2,1H3,(H2,22,25)(H,23,26)(H,24,27)