(2R)-2-[[3-(8aH-quinolin-1-ylcarbonyl)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]-(phenylmethyl)amino]butanoate

Systemtic Name: (2R)-2-[[3-(8aH-quinolin-1-ylcarbonyl)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]-(phenylmethyl)amino]butanoate Openeye Name: (2R)-2-[[2-amino-3-(8aH-quinoline-1-carbonyl)-5-hydroxy-5-oxo-pentanoyl]-benzyl-amino]butanoate CAS Name: (2R)-2-[[2-amino-3-[8aH-quinolin-1-yl(oxo)methyl]-5-hydroxy-1,5-dioxopentyl]-(phenylmethyl)amino]butanoate IUPAC Name: (2R)-2-[[2-amino-3-(8aH-quinoline-1-carbonyl)-5-hydroxy-5-oxopentanoyl]-benzylamino]butanoate Traditional Name: (2R)-2-[[2-amino-3-(8aH-quinoline-1-carbonyl)-5-hydroxy-5-keto-pentanoyl]-benzyl-amino]butyrate Formula: C26H28N3O6- MolecularWeight: 478.51702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C(C(CC(=O)O)C(=O)N2C=CC=C3C2C=CC=C3)N

Isomeric SMILES

CC[C@H](C(=O)[O-])N(CC1=CC=CC=C1)C(=O)C(C(CC(=O)O)C(=O)N2C=CC=C3C2C=CC=C3)N

InChI

InChI=1S/C26H29N3O6/c1-2-20(26(34)35)29(16-17-9-4-3-5-10-17)25(33)23(27)19(15-22(30)31)24(32)28-14-8-12-18-11-6-7-13-21(18)28/h3-14,19-21,23H,2,15-16,27H2,1H3,(H,30,31)(H,34,35)/p-1/t19?,20-,21?,23?/m1/s1