tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]heptanoate

Systemtic Name: tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]heptanoate Openeye Name: tert-butyl (3R,4S,5S)-4-[[(2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]-methyl-amino]-3-methoxy-5-methyl-heptanoate CAS Name: (3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S,3S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]heptanoate Traditional Name: (3R,4S,5S)-4-[[(2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]-methyl-amino]-3-methoxy-5-methyl-enanthic acid tert-butyl ester Formula: C28H46N2O6 MolecularWeight: 506.67464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46N2O6/c1-10-19(3)24(29-27(33)35-18-21-15-13-12-14-16-21)26(32)30(8)25(20(4)11-2)22(34-9)17-23(31)36-28(5,6)7/h12-16,19-20,22,24-25H,10-11,17-18H2,1-9H3,(H,29,33)/t19-,20-,22+,24-,25-/m0/s1