O1-tert-butyl O4-methyl (2R)-2-[[(2R)-3-(2-chloranyl-1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2R)-3-methyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]butanoyl]amino]pentanoyl]amino]propanoyl]amino]butanedioate

Systemtic Name: O1-tert-butyl O4-methyl (2R)-2-[[(2R)-3-(2-chloranyl-1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2R)-3-methyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]butanoyl]amino]pentanoyl]amino]propanoyl]amino]butanedioate Openeye Name: O1-tert-butyl O4-methyl (2R)-2-[[(2R)-3-(2-chloro-1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2R)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]pentanoyl]amino]propanoyl]amino]butanedioate CAS Name: (2R)-2-[[(2R)-3-(2-chloro-1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2R)-3-methyl-1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]butyl]amino]-1-oxopentyl]amino]-1-oxopropyl]amino]butanedioic acid O1-tert-butyl ester O4-methyl ester IUPAC Name: 1-O-tert-butyl 4-O-methyl (2R)-2-[[(2R)-3-(2-chloro-1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2R)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]pentanoyl]amino]propanoyl]amino]butanedioate Traditional Name: (2R)-2-[[(2R)-3-(2-chloro-1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2R)-3-methyl-2-[[(2S)-prolyl]amino]butanoyl]amino]pentanoyl]amino]propanoyl]amino]succinic acid O1-tert-butyl ester O4-methyl ester Formula: C36H53ClN6O8 MolecularWeight: 733.29442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=C(NC2=CC=CC=C21)Cl)C(=O)NC(CC(=O)OC)C(=O)OC(C)(C)C)NC(=O)C(C(C)C)NC(=O)C3CCCN3

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@H](CC1=C(NC2=CC=CC=C21)Cl)C(=O)N[C@H](CC(=O)OC)C(=O)OC(C)(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]3CCCN3

InChI

InChI=1S/C36H53ClN6O8/c1-19(2)16-25(41-34(48)29(20(3)4)43-31(45)24-14-11-15-38-24)32(46)40-26(17-22-21-12-9-10-13-23(21)39-30(22)37)33(47)42-27(18-28(44)50-8)35(49)51-36(5,6)7/h9-10,12-13,19-20,24-27,29,38-39H,11,14-18H2,1-8H3,(H,40,46)(H,41,48)(H,42,47)(H,43,45)/t24-,25-,26+,27+,29+/m0/s1