(3R)-4-[[(2S)-1-azanyl-3-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]amino]-3-[[(2R)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-naphthalen-2-yl-propanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3R)-4-[[(2S)-1-azanyl-3-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]amino]-3-[[(2R)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-naphthalen-2-yl-propanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3R)-4-[[(1S)-2-amino-1-[(4-chlorophenyl)methyl]-2-oxo-ethyl]amino]-3-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(2-naphthyl)propanoyl]amino]-4-oxo-butanoic acid CAS Name: (3R)-4-[[(2S)-1-amino-3-(4-chlorophenyl)-1-oxopropan-2-yl]amino]-3-[[(2R)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: (3R)-4-[[(2S)-1-amino-3-(4-chlorophenyl)-1-oxopropan-2-yl]amino]-3-[[(2R)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-4-oxobutanoic acid Traditional Name: (3R)-4-[[(1S)-2-amino-1-(4-chlorobenzyl)-2-keto-ethyl]amino]-3-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(2-naphthyl)propanoyl]amino]-4-keto-butyric acid Formula: C42H45ClN6O8 MolecularWeight: 797.2951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NC(CC(=O)O)C(=O)NC(CC5=CC=C(C=C5)Cl)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC3=CC4=CC=CC=C4C=C3)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CC5=CC=C(C=C5)Cl)C(=O)N

InChI

InChI=1S/C42H45ClN6O8/c1-42(2,3)57-41(56)49-34(21-28-23-45-31-11-7-6-10-30(28)31)39(54)47-33(20-25-12-15-26-8-4-5-9-27(26)18-25)38(53)48-35(22-36(50)51)40(55)46-32(37(44)52)19-24-13-16-29(43)17-14-24/h4-18,23,32-35,45H,19-22H2,1-3H3,(H2,44,52)(H,46,55)(H,47,54)(H,48,53)(H,49,56)(H,50,51)/t32-,33+,34-,35+/m0/s1