methyl 3-[2-azanylethanoyl-[4-(2-azanyl-1,3-thiazol-4-yl)butanoyl]amino]-5-phenyl-pentanoate

Systemtic Name: methyl 3-[2-azanylethanoyl-[4-(2-azanyl-1,3-thiazol-4-yl)butanoyl]amino]-5-phenyl-pentanoate Openeye Name: methyl 3-[(2-aminoacetyl)-[4-(2-aminothiazol-4-yl)butanoyl]amino]-5-phenyl-pentanoate CAS Name: 3-[(2-amino-1-oxoethyl)-[4-(2-amino-4-thiazolyl)-1-oxobutyl]amino]-5-phenylpentanoic acid methyl ester IUPAC Name: methyl 3-[(2-aminoacetyl)-[4-(2-amino-1,3-thiazol-4-yl)butanoyl]amino]-5-phenylpentanoate Traditional Name: 3-[4-(2-aminothiazol-4-yl)butanoyl-glycyl-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)N(C(=O)CCCC2=CSC(=N2)N)C(=O)CN

Isomeric SMILES

COC(=O)CC(CCC1=CC=CC=C1)N(C(=O)CCCC2=CSC(=N2)N)C(=O)CN

InChI

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