(3S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[(3S)-3-(phenylmethoxycarbonylamino)butanoyl]amino]heptanoic acid

Systemtic Name: (3S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[(3S)-3-(phenylmethoxycarbonylamino)butanoyl]amino]heptanoic acid Openeye Name: (3S)-3-[[(3S)-3-(benzyloxycarbonylamino)butanoyl]amino]-7-(tert-butoxycarbonylamino)heptanoic acid CAS Name: (3S)-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[[(3S)-1-oxo-3-(phenylmethoxycarbonylamino)butyl]amino]heptanoic acid IUPAC Name: (3S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[(3S)-3-(phenylmethoxycarbonylamino)butanoyl]amino]heptanoic acid Traditional Name: (3S)-3-[[(3S)-3-(benzyloxycarbonylamino)butanoyl]amino]-7-(tert-butoxycarbonylamino)enanthic acid Formula: C24H37N3O7 MolecularWeight: 479.56648

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC(CCCCNC(=O)OC(C)(C)C)CC(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C24H37N3O7/c1-17(26-23(32)33-16-18-10-6-5-7-11-18)14-20(28)27-19(15-21(29)30)12-8-9-13-25-22(31)34-24(2,3)4/h5-7,10-11,17,19H,8-9,12-16H2,1-4H3,(H,25,31)(H,26,32)(H,27,28)(H,29,30)/t17-,19-/m0/s1