tert-butyl 3-[(2S)-3-[[(2S,3S)-3-methyl-1-oxidanylidene-1-[(2R)-2-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]carbonylpiperidin-1-yl]pentan-2-yl]amino]-3-oxidanylidene-2-[[(2S)-8-oxidanylidene-2-(phenylmethoxycarbonylamino)decanoyl]amino]propyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(2S)-3-[[(2S,3S)-3-methyl-1-oxidanylidene-1-[(2R)-2-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]carbonylpiperidin-1-yl]pentan-2-yl]amino]-3-oxidanylidene-2-[[(2S)-8-oxidanylidene-2-(phenylmethoxycarbonylamino)decanoyl]amino]propyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-8-oxo-decanoyl]amino]-3-[[(1S,2S)-2-methyl-1-[(2R)-2-(2,3,4,5,6-pentafluorophenoxy)carbonylpiperidine-1-carbonyl]butyl]amino]-3-oxo-propyl]indole-1-carboxylate CAS Name: 3-[(2S)-2-[[(2S)-1,8-dioxo-2-(phenylmethoxycarbonylamino)decyl]amino]-3-[[(2S,3S)-3-methyl-1-oxo-1-[(2R)-2-[oxo-(2,3,4,5,6-pentafluorophenoxy)methyl]-1-piperidinyl]pentan-2-yl]amino]-3-oxopropyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2S)-3-[[(2S,3S)-3-methyl-1-oxo-1-[(2R)-2-(2,3,4,5,6-pentafluorophenoxy)carbonylpiperidin-1-yl]pentan-2-yl]amino]-3-oxo-2-[[(2S)-8-oxo-2-(phenylmethoxycarbonylamino)decanoyl]amino]propyl]indole-1-carboxylate Traditional Name: 3-[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-8-keto-decanoyl]amino]-3-keto-3-[[(1S,2S)-2-methyl-1-[(2R)-2-(2,3,4,5,6-pentafluorophenoxy)carbonylpiperidine-1-carbonyl]butyl]amino]propyl]indole-1-carboxylic acid tert-butyl ester Formula: C52H62F5N5O10 MolecularWeight: 1012.068196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCCC1C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F)NC(=O)C(CC3=CN(C4=CC=CC=C43)C(=O)OC(C)(C)C)NC(=O)C(CCCCCC(=O)CC)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCCC[C@@H]1C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F)NC(=O)[C@H](CC3=CN(C4=CC=CC=C43)C(=O)OC(C)(C)C)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C52H62F5N5O10/c1-7-30(3)44(48(66)61-26-18-17-25-38(61)49(67)71-45-42(56)40(54)39(53)41(55)43(45)57)60-47(65)36(27-32-28-62(51(69)72-52(4,5)6)37-24-16-15-22-34(32)37)58-46(64)35(23-14-10-13-21-33(63)8-2)59-50(68)70-29-31-19-11-9-12-20-31/h9,11-12,15-16,19-20,22,24,28,30,35-36,38,44H,7-8,10,13-14,17-18,21,23,25-27,29H2,1-6H3,(H,58,64)(H,59,68)(H,60,65)/t30-,35-,36-,38+,44-/m0/s1