(3S)-4-[[2-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-[[(2S)-3-[4-[(2-bromophenyl)methoxycarbonyloxy]phenyl]-2-[[(2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[[2-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-[[(2S)-3-[4-[(2-bromophenyl)methoxycarbonyloxy]phenyl]-2-[[(2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[2-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-3-[[(2S)-3-[4-[(2-bromophenyl)methoxycarbonyloxy]phenyl]-2-[[(2S)-2-(tert-butoxycarbonylamino)-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoyl]amino]propanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-3-[[(2S)-3-[4-[(2-bromophenyl)methoxy-oxomethoxy]phenyl]-2-[[(2S)-6-[[(2-chlorophenyl)methoxy-oxomethyl]amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-3-[[(2S)-3-[4-[(2-bromophenyl)methoxycarbonyloxy]phenyl]-2-[[(2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[2-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]-2-keto-ethyl]amino]-3-[[(2S)-3-[4-(2-bromobenzyl)oxycarbonyloxyphenyl]-2-[[(2S)-2-(tert-butoxycarbonylamino)-6-[(2-chlorobenzyl)oxycarbonylamino]hexanoyl]amino]propanoyl]amino]-4-keto-butyric acid Formula: C51H59BrClN7O14 MolecularWeight: 1109.40966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1Cl)C(=O)NC(CC2=CC=C(C=C2)OC(=O)OCC3=CC=CC=C3Br)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC4=CC=CC=C4)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1Cl)C(=O)N[C@@H](CC2=CC=C(C=C2)OC(=O)OCC3=CC=CC=C3Br)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C51H59BrClN7O14/c1-51(2,3)74-49(69)60-38(19-11-12-24-55-48(68)71-30-34-16-8-10-18-37(34)53)46(66)58-40(26-32-20-22-35(23-21-32)73-50(70)72-29-33-15-7-9-17-36(33)52)47(67)59-41(27-43(62)63)45(65)56-28-42(61)57-39(44(54)64)25-31-13-5-4-6-14-31/h4-10,13-18,20-23,38-41H,11-12,19,24-30H2,1-3H3,(H2,54,64)(H,55,68)(H,56,65)(H,57,61)(H,58,66)(H,59,67)(H,60,69)(H,62,63)/t38-,39-,40-,41-/m0/s1