tert-butyl N-[(2R,5R,11bS)-5-[[(2R)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-3-oxidanylidene-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R,5R,11bS)-5-[[(2R)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-3-oxidanylidene-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-2-yl]carbamate Openeye Name: tert-butyl N-[(2R,5R,11bS)-5-[[(1R)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-3-oxo-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-2-yl]carbamate CAS Name: N-[(2R,5R,11bS)-5-[[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-3-oxo-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R,5R,11bS)-5-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-3-oxo-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indol-2-yl]carbamate Traditional Name: N-[(2R,5R,11bS)-5-[[(1R)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]-3-keto-1,2,5,6,11,11b-hexahydropyrrolo[2,1-a]$b-carbolin-2-yl]carbamic acid tert-butyl ester Formula: C29H33N5O5 MolecularWeight: 531.60282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC2C3=C(CC(N2C1=O)C(=O)NC(CC4=CC=CC=C4)C(=O)N)C5=CC=CC=C5N3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C3=C(C[C@@H](N2C1=O)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)N)C5=CC=CC=C5N3

InChI

InChI=1S/C29H33N5O5/c1-29(2,3)39-28(38)33-21-15-22-24-18(17-11-7-8-12-19(17)31-24)14-23(34(22)27(21)37)26(36)32-20(25(30)35)13-16-9-5-4-6-10-16/h4-12,20-23,31H,13-15H2,1-3H3,(H2,30,35)(H,32,36)(H,33,38)/t20-,21-,22+,23-/m1/s1