5-[[(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]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[(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]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[(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]-5-oxo-pentanoic acid CAS Name: 5-[[(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]-5-oxopentanoic acid IUPAC Name: 5-[[(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]-5-oxopentanoic acid Traditional Name: 5-[[(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]-5-keto-valeric acid Formula: C49H69N7O11 MolecularWeight: 932.11246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNC(=O)CCCC(=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)CCCC(=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/C49H69N7O11/c1-49(2,3)67-48(65)56-38(25-14-15-28-51-42(58)26-17-27-43(59)60)45(62)55-39(30-34-18-7-4-8-19-34)41(57)32-53-40(31-35-20-9-5-10-21-35)46(63)54-37(44(50)61)24-13-16-29-52-47(64)66-33-36-22-11-6-12-23-36/h4-12,18-23,37-41,53,57H,13-17,24-33H2,1-3H3,(H2,50,61)(H,51,58)(H,52,64)(H,54,63)(H,55,62)(H,56,65)(H,59,60)/t37-,38-,39-,40-,41?/m0/s1