4-[[(5S)-6-[[(2S)-4-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(5S)-6-[[(2S)-4-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(5S)-6-[[(1S)-1-benzyl-3-[[(1S)-1-benzyl-2-[[(1S)-5-(benzyloxycarbonylamino)-1-carbamoyl-pentyl]amino]-2-oxo-ethyl]amino]-2-hydroxy-propyl]amino]-5-(tert-butoxycarbonylamino)-6-oxo-hexyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(5S)-6-[[(2S)-4-[[(2S)-1-[[(2S)-1-amino-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxohexyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(5S)-6-[[(2S)-4-[[(2S)-1-[[(2S)-1-amino-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(5S)-6-[[(1S)-1-benzyl-3-[[(1S)-1-benzyl-2-[[(1S)-5-(benzyloxycarbonylamino)-1-carbamoyl-pentyl]amino]-2-keto-ethyl]amino]-2-hydroxy-propyl]amino]-5-(tert-butoxycarbonylamino)-6-keto-hexyl]amino]-4-keto-butyric acid Formula: C48H67N7O11 MolecularWeight: 918.08588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNC(=O)CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(CNC(CC2=CC=CC=C2)C(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)N)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(CN[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCNC(=O)OCC3=CC=CC=C3)C(=O)N)O

InChI

InChI=1S/C48H67N7O11/c1-48(2,3)66-47(64)55-37(24-14-15-27-50-41(57)25-26-42(58)59)44(61)54-38(29-33-17-7-4-8-18-33)40(56)31-52-39(30-34-19-9-5-10-20-34)45(62)53-36(43(49)60)23-13-16-28-51-46(63)65-32-35-21-11-6-12-22-35/h4-12,17-22,36-40,52,56H,13-16,23-32H2,1-3H3,(H2,49,60)(H,50,57)(H,51,63)(H,53,62)(H,54,61)(H,55,64)(H,58,59)/t36-,37-,38-,39-,40?/m0/s1