(phenylmethyl) (3S)-4-[[(2S)-1-azanyl-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-methyl-amino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (3S)-4-[[(2S)-1-azanyl-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-methyl-amino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoate Openeye Name: benzyl (3S)-4-[[(1S)-2-amino-1-(1-naphthylmethyl)-2-oxo-ethyl]amino]-3-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]-methyl-amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoate CAS Name: (3S)-4-[[(2S)-1-amino-3-(1-naphthalenyl)-1-oxopropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-methylamino]-1-oxo-3-phenylpropyl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-4-[[(2S)-1-amino-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-methylamino]-3-phenylpropanoyl]amino]-4-oxobutanoate Traditional Name: (3S)-4-[[(1S)-2-amino-2-keto-1-(1-naphthylmethyl)ethyl]amino]-3-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]-methyl-amino]-3-phenyl-propanoyl]amino]-4-keto-butyric acid benzyl ester Formula: C50H54N6O8 MolecularWeight: 866.99916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N(C)C(CC3=CC=CC=C3)C(=O)NC(CC(=O)OCC4=CC=CC=C4)C(=O)NC(CC5=CC=CC6=CC=CC=C65)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N(C)[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC(=O)OCC4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=CC6=CC=CC=C65)C(=O)N

InChI

InChI=1S/C50H54N6O8/c1-50(2,3)64-49(62)55-42(28-36-30-52-39-25-14-13-24-38(36)39)48(61)56(4)43(26-32-16-7-5-8-17-32)47(60)54-41(29-44(57)63-31-33-18-9-6-10-19-33)46(59)53-40(45(51)58)27-35-22-15-21-34-20-11-12-23-37(34)35/h5-25,30,40-43,52H,26-29,31H2,1-4H3,(H2,51,58)(H,53,59)(H,54,60)(H,55,62)/t40-,41-,42-,43-/m0/s1