(4S)-5-[[(2S)-1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-hexan-2-yl]amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: (4S)-5-[[(2S)-1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-hexan-2-yl]amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (4S)-4-(benzyloxycarbonylamino)-5-[[(1S)-5-(tert-butoxycarbonylamino)-1-methoxycarbonyl-pentyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-1-methoxy-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (4S)-5-[[(2S)-1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (4S)-4-(benzyloxycarbonylamino)-5-[[(1S)-5-(tert-butoxycarbonylamino)-1-carbomethoxy-pentyl]amino]-5-keto-valeric acid Formula: C25H37N3O9 MolecularWeight: 523.57598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=O)OC)NC(=O)C(CCC(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)OC)NC(=O)[C@H](CCC(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C25H37N3O9/c1-25(2,3)37-23(33)26-15-9-8-12-19(22(32)35-4)27-21(31)18(13-14-20(29)30)28-24(34)36-16-17-10-6-5-7-11-17/h5-7,10-11,18-19H,8-9,12-16H2,1-4H3,(H,26,33)(H,27,31)(H,28,34)(H,29,30)/t18-,19-/m0/s1