[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 3-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 3-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate CAS Name: 3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate Traditional Name: 3-[(3aS,7aS)-1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl]propionic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C18H25N3O6 MolecularWeight: 379.4076

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)CCN1C(=O)C2CC=CCC2C1=O

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O

InChI

InChI=1S/C18H25N3O6/c1-3-11(2)19-18(26)20-14(22)10-27-15(23)8-9-21-16(24)12-6-4-5-7-13(12)17(21)25/h4-5,11-13H,3,6-10H2,1-2H3,(H2,19,20,22,26)/t11-,12-,13-/m0/s1