methyl (2S)-2,6-bis[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-5-phenylmethoxy-pentanoyl]amino]hexanoate

Systemtic Name: methyl (2S)-2,6-bis[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-5-phenylmethoxy-pentanoyl]amino]hexanoate Openeye Name: methyl (2S)-2,6-bis[[(2S)-5-benzyloxy-2-(tert-butoxycarbonylamino)-5-oxo-pentanoyl]amino]hexanoate CAS Name: (2S)-2,6-bis[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,5-dioxo-5-phenylmethoxypentyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-2,6-bis[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoyl]amino]hexanoate Traditional Name: (2S)-2,6-bis[[(2S)-5-benzoxy-2-(tert-butoxycarbonylamino)-5-keto-pentanoyl]amino]hexanoic acid methyl ester Formula: C41H58N4O12 MolecularWeight: 798.91882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)NCCCCC(C(=O)OC)NC(=O)C(CCC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)NCCCC[C@@H](C(=O)OC)NC(=O)[C@H](CCC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C41H58N4O12/c1-40(2,3)56-38(51)44-30(21-23-33(46)54-26-28-16-10-8-11-17-28)35(48)42-25-15-14-20-32(37(50)53-7)43-36(49)31(45-39(52)57-41(4,5)6)22-24-34(47)55-27-29-18-12-9-13-19-29/h8-13,16-19,30-32H,14-15,20-27H2,1-7H3,(H,42,48)(H,43,49)(H,44,51)(H,45,52)/t30-,31-,32-/m0/s1