tert-butyl (3R)-3-[[(2R)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[(1R)-2-[[(2S)-1-azido-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]carbamoyl]pyrrolidin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl (3R)-3-[[(2R)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[(1R)-2-[[(2S)-1-azido-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]carbamoyl]pyrrolidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: tert-butyl (3R)-3-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[(1R)-2-[[(1S)-1-carbonazidoyl-3-methyl-butyl]amino]-2-oxo-1-phenyl-ethyl]carbamoyl]pyrrolidin-1-yl]-4-oxo-butanoate CAS Name: (3R)-3-[[(2R)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-[(2S)-2-[[[(1R)-2-[[(2S)-1-azido-4-methyl-1-oxopentan-2-yl]amino]-2-oxo-1-phenylethyl]amino]-oxomethyl]-1-pyrrolidinyl]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[(1R)-2-[[(2S)-1-azido-4-methyl-1-oxopentan-2-yl]amino]-2-oxo-1-phenylethyl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoate Traditional Name: (3R)-3-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[(1R)-2-[[(1S)-1-carbonazidoyl-3-methyl-butyl]amino]-2-keto-1-phenyl-ethyl]carbamoyl]pyrrolidino]-4-keto-butyric acid tert-butyl ester Formula: C38H49N9O7 MolecularWeight: 743.85176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N=[N+]=[N-])NC(=O)C(C1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C(CC(=O)OC(C)(C)C)NC(=O)C(CC3=CNC4=CC=CC=C43)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N=[N+]=[N-])NC(=O)[C@@H](C1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)N

InChI

InChI=1S/C38H49N9O7/c1-22(2)18-28(34(50)45-46-40)42-36(52)32(23-12-7-6-8-13-23)44-35(51)30-16-11-17-47(30)37(53)29(20-31(48)54-38(3,4)5)43-33(49)26(39)19-24-21-41-27-15-10-9-14-25(24)27/h6-10,12-15,21-22,26,28-30,32,41H,11,16-20,39H2,1-5H3,(H,42,52)(H,43,49)(H,44,51)/t26-,28+,29-,30+,32-/m1/s1