tert-butyl 2-chloranyl-3-[(2R)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]carbonylamino]-3-methyl-butanoyl]amino]-3-[[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanylidene-propyl]indole-1-carboxylate

Systemtic Name: tert-butyl 2-chloranyl-3-[(2R)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]carbonylamino]-3-methyl-butanoyl]amino]-3-[[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanylidene-propyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(2R)-3-[[(1R)-1-tert-butoxycarbonylpentyl]amino]-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-3-methyl-butanoyl]amino]-3-oxo-propyl]-2-chloro-indole-1-carboxylate CAS Name: 2-chloro-3-[(2R)-2-[[(2S)-2-[[[(2S,6R)-2,6-dimethyl-1-piperidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-3-[[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]amino]-3-oxopropyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-chloro-3-[(2R)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-3-methylbutanoyl]amino]-3-[[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]amino]-3-oxopropyl]indole-1-carboxylate Traditional Name: 3-[(2R)-3-[[(1R)-1-tert-butoxycarbonylpentyl]amino]-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-3-methyl-butanoyl]amino]-3-keto-propyl]-2-chloro-indole-1-carboxylic acid tert-butyl ester Formula: C39H60ClN5O7 MolecularWeight: 746.376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=C(N(C2=CC=CC=C21)C(=O)OC(C)(C)C)Cl)NC(=O)C(C(C)C)NC(=O)N3C(CCCC3C)C

Isomeric SMILES

CCCC[C@H](C(=O)OC(C)(C)C)NC(=O)[C@@H](CC1=C(N(C2=CC=CC=C21)C(=O)OC(C)(C)C)Cl)NC(=O)[C@H](C(C)C)NC(=O)N3[C@@H](CCC[C@@H]3C)C

InChI

InChI=1S/C39H60ClN5O7/c1-12-13-20-28(35(48)51-38(6,7)8)41-33(46)29(42-34(47)31(23(2)3)43-36(49)44-24(4)17-16-18-25(44)5)22-27-26-19-14-15-21-30(26)45(32(27)40)37(50)52-39(9,10)11/h14-15,19,21,23-25,28-29,31H,12-13,16-18,20,22H2,1-11H3,(H,41,46)(H,42,47)(H,43,49)/t24-,25+,28-,29-,31+/m1/s1