(3R)-4-[2-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)ethylamino]-4-oxo-butanoic acid CAS Name: (3R)-4-[2-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)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-(homoveratrylamino)-4-keto-butyric acid Formula: C43H49N5O9 MolecularWeight: 779.87726

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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)OC)OC

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)OC)OC

InChI

InChI=1S/C43H49N5O9/c1-43(2,3)57-42(54)48-34(23-30-25-45-32-13-9-8-12-31(30)32)41(53)46-33(21-27-14-16-28-10-6-7-11-29(28)20-27)40(52)47-35(24-38(49)50)39(51)44-19-18-26-15-17-36(55-4)37(22-26)56-5/h6-17,20,22,25,33-35,45H,18-19,21,23-24H2,1-5H3,(H,44,51)(H,46,53)(H,47,52)(H,48,54)(H,49,50)/t33-,34+,35-/m1/s1