methyl (2S)-2-[[(2S,3aR,8bS)-8b-oxidanyl-3-(triphenylmethyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-2-yl]carbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate

Systemtic Name: methyl (2S)-2-[[(2S,3aR,8bS)-8b-oxidanyl-3-(triphenylmethyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-2-yl]carbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate Openeye Name: methyl (2S)-2-[[(2S,3aR,8bS)-8b-hydroxy-3-trityl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole-2-carbonyl]amino]-3-(4-tert-butoxyphenyl)propanoate CAS Name: (2S)-2-[[[(2S,3aR,8bS)-8b-hydroxy-3-(triphenylmethyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-2-yl]-oxomethyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S,3aR,8bS)-8b-hydroxy-3-trityl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole-2-carbonyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate Traditional Name: (2S)-2-[[(2S,3aR,8bS)-8b-hydroxy-3-trityl-1,2,3a,4-tetrahydropyrrol[2,3-b]indole-2-carbonyl]amino]-3-(4-tert-butoxyphenyl)propionic acid methyl ester Formula: C44H45N3O5 MolecularWeight: 695.8452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)OC)NC(=O)C2CC3(C(N2C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)NC7=CC=CC=C73)O

Isomeric SMILES

CC(C)(C)OC1=CC=C(C=C1)C[C@@H](C(=O)OC)NC(=O)[C@@H]2C[C@]3([C@@H](N2C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)NC7=CC=CC=C73)O

InChI

InChI=1S/C44H45N3O5/c1-42(2,3)52-34-26-24-30(25-27-34)28-37(40(49)51-4)45-39(48)38-29-43(50)35-22-14-15-23-36(35)46-41(43)47(38)44(31-16-8-5-9-17-31,32-18-10-6-11-19-32)33-20-12-7-13-21-33/h5-27,37-38,41,46,50H,28-29H2,1-4H3,(H,45,48)/t37-,38-,41+,43-/m0/s1