methyl (2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: methyl (2S)-6-(benzyloxycarbonylamino)-2-[[(2S)-6-(benzyloxycarbonylamino)-2-[[(2S)-6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)hexanoyl]amino]hexanoyl]amino]hexanoate CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-6-(benzyloxycarbonylamino)-2-[[(2S)-6-(benzyloxycarbonylamino)-2-[[(2S)-6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)hexanoyl]amino]hexanoyl]amino]hexanoic acid methyl ester Formula: C48H66N6O12 MolecularWeight: 919.07064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CCCCNC(=O)OCC2=CC=CC=C2)C(=O)N[C@@H](CCCCNC(=O)OCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C48H66N6O12/c1-48(2,3)66-47(61)54-39(27-15-18-30-50-45(59)64-33-36-22-10-6-11-23-36)42(56)52-38(26-14-17-29-49-44(58)63-32-35-20-8-5-9-21-35)41(55)53-40(43(57)62-4)28-16-19-31-51-46(60)65-34-37-24-12-7-13-25-37/h5-13,20-25,38-40H,14-19,26-34H2,1-4H3,(H,49,58)(H,50,59)(H,51,60)(H,52,56)(H,53,55)(H,54,61)/t38-,39-,40-/m0/s1