(phenylmethyl) (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-5-[[(2S)-1-oxidanylidene-6-(phenylmethoxycarbonylamino)-1-(prop-2-ynylamino)hexan-2-yl]amino]pentanoate

Systemtic Name: (phenylmethyl) (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-5-[[(2S)-1-oxidanylidene-6-(phenylmethoxycarbonylamino)-1-(prop-2-ynylamino)hexan-2-yl]amino]pentanoate Openeye Name: benzyl (4S)-5-[[(1S)-5-(benzyloxycarbonylamino)-1-(prop-2-ynylcarbamoyl)pentyl]amino]-4-(tert-butoxycarbonylamino)-5-oxo-pentanoate CAS Name: (4S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxo-5-[[(2S)-1-oxo-6-(phenylmethoxycarbonylamino)-1-(prop-2-ynylamino)hexan-2-yl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[(2S)-1-oxo-6-(phenylmethoxycarbonylamino)-1-(prop-2-ynylamino)hexan-2-yl]amino]pentanoate Traditional Name: (4S)-5-[[(1S)-5-(benzyloxycarbonylamino)-1-(propargylcarbamoyl)pentyl]amino]-4-(tert-butoxycarbonylamino)-5-keto-valeric acid benzyl ester Formula: C34H44N4O8 MolecularWeight: 636.73516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)NCC#C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CCCCNC(=O)OCC2=CC=CC=C2)C(=O)NCC#C

InChI

InChI=1S/C34H44N4O8/c1-5-21-35-30(40)27(18-12-13-22-36-32(42)45-24-26-16-10-7-11-17-26)37-31(41)28(38-33(43)46-34(2,3)4)19-20-29(39)44-23-25-14-8-6-9-15-25/h1,6-11,14-17,27-28H,12-13,18-24H2,2-4H3,(H,35,40)(H,36,42)(H,37,41)(H,38,43)/t27-,28-/m0/s1