3-(8aH-quinolin-1-ylcarbonyl)-4-azanyl-5-oxidanylidene-5-[[(2R)-1-oxidanyl-1-oxidanylidene-butan-2-yl]-(phenylmethyl)amino]pentanoic acid

Systemtic Name: 3-(8aH-quinolin-1-ylcarbonyl)-4-azanyl-5-oxidanylidene-5-[[(2R)-1-oxidanyl-1-oxidanylidene-butan-2-yl]-(phenylmethyl)amino]pentanoic acid Openeye Name: 4-amino-3-(8aH-quinoline-1-carbonyl)-5-[benzyl-[(1R)-1-carboxypropyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-3-[8aH-quinolin-1-yl(oxo)methyl]-5-[[(2R)-1-hydroxy-1-oxobutan-2-yl]-(phenylmethyl)amino]-5-oxopentanoic acid IUPAC Name: 4-amino-3-(8aH-quinoline-1-carbonyl)-5-[benzyl-[(2R)-1-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-3-(8aH-quinoline-1-carbonyl)-5-[benzyl-[(1R)-1-carboxypropyl]amino]-5-keto-valeric acid Formula: C26H29N3O6 MolecularWeight: 479.52496

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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)/t19?,20-,21?,23?/m1/s1