ethyl 2-[2-[2-[2-[[5-[[(2S)-1-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidin-2-yl]carbonylamino]-2-(phenoxymethyl)phenyl]carbonylamino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[2-[2-[[5-[[(2S)-1-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidin-2-yl]carbonylamino]-2-(phenoxymethyl)phenyl]carbonylamino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[[2-[[2-[[5-[[(2S)-1-[(2S)-2-(benzyloxycarbonylamino)-6-(tert-butoxycarbonylamino)hexanoyl]pyrrolidine-2-carbonyl]amino]-2-(phenoxymethyl)benzoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate CAS Name: 2-[[2-[[2-[[2-[[[5-[[[(2S)-1-[(2S)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-2-(phenylmethoxycarbonylamino)hexyl]-2-pyrrolidinyl]-oxomethyl]amino]-2-(phenoxymethyl)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[2-[[2-[[5-[[(2S)-1-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carbonyl]amino]-2-(phenoxymethyl)benzoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate Traditional Name: 2-[[2-[[2-[[2-[[5-[[(2S)-1-[(2S)-2-(benzyloxycarbonylamino)-6-(tert-butoxycarbonylamino)hexanoyl]prolyl]amino]-2-(phenoxymethyl)benzoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid ethyl ester Formula: C48H62N8O13 MolecularWeight: 959.05168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)OCC3=CC=CC=C3)COC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C1=C(C=CC(=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC3=CC=CC=C3)COC4=CC=CC=C4

InChI

InChI=1S/C48H62N8O13/c1-5-66-42(60)29-52-40(58)27-50-39(57)26-51-41(59)28-53-43(61)36-25-34(22-21-33(36)31-67-35-17-10-7-11-18-35)54-44(62)38-20-14-24-56(38)45(63)37(19-12-13-23-49-46(64)69-48(2,3)4)55-47(65)68-30-32-15-8-6-9-16-32/h6-11,15-18,21-22,25,37-38H,5,12-14,19-20,23-24,26-31H2,1-4H3,(H,49,64)(H,50,57)(H,51,59)(H,52,58)(H,53,61)(H,54,62)(H,55,65)/t37-,38-/m0/s1