2-[4-[[(4S,7S)-4-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]-6,10-bis(oxidanylidene)-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a][1,2]diazepin-7-yl]carbamoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[(4S,7S)-4-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]-6,10-bis(oxidanylidene)-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a][1,2]diazepin-7-yl]carbamoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[[(4S,7S)-4-[[(1S)-3-tert-butoxy-1-formyl-3-oxo-propyl]carbamoyl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-7-yl]carbamoyl]phenoxy]acetic acid CAS Name: 2-[4-[[[(4S,7S)-4-[[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]amino]-oxomethyl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-7-yl]amino]-oxomethyl]phenoxy]acetic acid IUPAC Name: 2-[4-[[(4S,7S)-4-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]carbamoyl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-7-yl]carbamoyl]phenoxy]acetic acid Traditional Name: 2-[4-[[(4S,7S)-4-[[(1S)-3-tert-butoxy-1-formyl-3-keto-propyl]carbamoyl]-6,10-diketo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-7-yl]carbamoyl]phenoxy]acetic acid Formula: C27H34N4O10 MolecularWeight: 574.57966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C=O)NC(=O)C1CCCN2N1C(=O)C(CCC2=O)NC(=O)C3=CC=C(C=C3)OCC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H](C=O)NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)C3=CC=C(C=C3)OCC(=O)O

InChI

InChI=1S/C27H34N4O10/c1-27(2,3)41-23(36)13-17(14-32)28-25(38)20-5-4-12-30-21(33)11-10-19(26(39)31(20)30)29-24(37)16-6-8-18(9-7-16)40-15-22(34)35/h6-9,14,17,19-20H,4-5,10-13,15H2,1-3H3,(H,28,38)(H,29,37)(H,34,35)/t17-,19-,20-/m0/s1