(3R)-4-[2-(4-chlorophenyl)ethylamino]-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-[2-(4-chlorophenyl)ethylamino]-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)-3-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(2-naphthyl)propanoyl]amino]-4-[2-(4-chlorophenyl)ethylamino]-4-oxo-butanoic acid CAS Name: (3R)-4-[2-(4-chlorophenyl)ethylamino]-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-[2-(4-chlorophenyl)ethylamino]-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)-3-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(2-naphthyl)propanoyl]amino]-4-[2-(4-chlorophenyl)ethylamino]-4-keto-butyric acid Formula: C41H44ClN5O7 MolecularWeight: 754.27036

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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)NCCC5=CC=C(C=C5)Cl

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)NCCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C41H44ClN5O7/c1-41(2,3)54-40(53)47-34(22-29-24-44-32-11-7-6-10-31(29)32)39(52)45-33(21-26-12-15-27-8-4-5-9-28(27)20-26)38(51)46-35(23-36(48)49)37(50)43-19-18-25-13-16-30(42)17-14-25/h4-17,20,24,33-35,44H,18-19,21-23H2,1-3H3,(H,43,50)(H,45,52)(H,46,51)(H,47,53)(H,48,49)/t33-,34+,35-/m1/s1