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

Systemtic Name: 3-[2-azanylethanoyl-[4-(2-azanyl-1,3-thiazol-4-yl)butanoyl]amino]-5-phenyl-pentanoic acid Openeye Name: 3-[(2-aminoacetyl)-[4-(2-aminothiazol-4-yl)butanoyl]amino]-5-phenyl-pentanoic acid CAS Name: 3-[(2-amino-1-oxoethyl)-[4-(2-amino-4-thiazolyl)-1-oxobutyl]amino]-5-phenylpentanoic acid IUPAC Name: 3-[(2-aminoacetyl)-[4-(2-amino-1,3-thiazol-4-yl)butanoyl]amino]-5-phenylpentanoic acid Traditional Name: 3-[4-(2-aminothiazol-4-yl)butanoyl-glycyl-amino]-5-phenyl-valeric acid Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4S/c21-12-18(26)24(17(25)8-4-7-15-13-29-20(22)23-15)16(11-19(27)28)10-9-14-5-2-1-3-6-14/h1-3,5-6,13,16H,4,7-12,21H2,(H2,22,23)(H,27,28)