(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-5-phenylmethoxy-pentanoyl]amino]pentanoyl]amino]propanoyl]amino]-3-[1-(phenylmethoxymethyl)imidazol-4-yl]propanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-5-phenylmethoxy-pentanoyl]amino]pentanoyl]amino]propanoyl]amino]-3-[1-(phenylmethoxymethyl)imidazol-4-yl]propanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-benzyloxy-2-(tert-butoxycarbonylamino)-5-oxo-pentanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]-3-[1-(benzyloxymethyl)imidazol-4-yl]propanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-methyl-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,5-dioxo-5-phenylmethoxypentyl]amino]-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxo-3-[1-(phenylmethoxymethyl)-4-imidazolyl]propyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoyl]amino]pentanoyl]amino]propanoyl]amino]-3-[1-(phenylmethoxymethyl)imidazol-4-yl]propanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-benzoxy-2-(tert-butoxycarbonylamino)-5-keto-pentanoyl]amino]-3-methyl-pentanoyl]amino]propanoyl]amino]-3-[1-(benzoxymethyl)imidazol-4-yl]propanoyl]amino]propionic acid Formula: C43H59N7O11 MolecularWeight: 849.96886

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)NC(CC1=CN(C=N1)COCC2=CC=CC=C2)C(=O)NC(C)C(=O)O)NC(=O)C(CCC(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CN(C=N1)COCC2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCC(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C43H59N7O11/c1-8-27(2)36(49-38(53)33(48-42(58)61-43(5,6)7)19-20-35(51)60-24-31-17-13-10-14-18-31)40(55)45-28(3)37(52)47-34(39(54)46-29(4)41(56)57)21-32-22-50(25-44-32)26-59-23-30-15-11-9-12-16-30/h9-18,22,25,27-29,33-34,36H,8,19-21,23-24,26H2,1-7H3,(H,45,55)(H,46,54)(H,47,52)(H,48,58)(H,49,53)(H,56,57)/t27?,28-,29-,33-,34-,36-/m0/s1