prop-2-enyl (2S)-4-methyl-2-[[(2R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate

Systemtic Name: prop-2-enyl (2S)-4-methyl-2-[[(2R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate Openeye Name: allyl (2S)-2-[[(2R)-2-(benzyloxycarbonylamino)-5-(tert-butoxycarbonylamino)pentanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[(2R)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]pentanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S)-4-methyl-2-[[(2R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate Traditional Name: (2S)-2-[[(2R)-2-(benzyloxycarbonylamino)-5-(tert-butoxycarbonylamino)pentanoyl]amino]-4-methyl-valeric acid allyl ester Formula: C27H41N3O7 MolecularWeight: 519.63034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC=C)NC(=O)C(CCCNC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC=C)NC(=O)[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C27H41N3O7/c1-7-16-35-24(32)22(17-19(2)3)29-23(31)21(14-11-15-28-25(33)37-27(4,5)6)30-26(34)36-18-20-12-9-8-10-13-20/h7-10,12-13,19,21-22H,1,11,14-18H2,2-6H3,(H,28,33)(H,29,31)(H,30,34)/t21-,22+/m1/s1