diethyl 2-[4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(phenylcarbonyl)phenyl]propanoyl]amino]-3-oxidanylidene-3-(pentylamino)propyl]phenoxy]propanedioate

Systemtic Name: diethyl 2-[4-[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(phenylcarbonyl)phenyl]propanoyl]amino]-3-oxidanylidene-3-(pentylamino)propyl]phenoxy]propanedioate Openeye Name: diethyl 2-[4-[(2S)-2-[[(2S)-3-(4-benzoylphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioate CAS Name: 2-[4-[(2S)-2-[[(2S)-3-(4-benzoylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-[(2S)-2-[[(2S)-3-(4-benzoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-oxo-3-(pentylamino)propyl]phenoxy]propanedioate Traditional Name: 2-[4-[(2S)-3-(amylamino)-2-[[(2S)-3-(4-benzoylphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-keto-propyl]phenoxy]malonic acid diethyl ester Formula: C42H53N3O10 MolecularWeight: 759.88432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC1=CC=C(C=C1)OC(C(=O)OCC)C(=O)OCC)NC(=O)C(CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCNC(=O)[C@H](CC1=CC=C(C=C1)OC(C(=O)OCC)C(=O)OCC)NC(=O)[C@H](CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C42H53N3O10/c1-7-10-14-25-43-37(47)33(26-29-19-23-32(24-20-29)54-36(39(49)52-8-2)40(50)53-9-3)44-38(48)34(45-41(51)55-42(4,5)6)27-28-17-21-31(22-18-28)35(46)30-15-12-11-13-16-30/h11-13,15-24,33-34,36H,7-10,14,25-27H2,1-6H3,(H,43,47)(H,44,48)(H,45,51)/t33-,34-/m0/s1