(2S)-5-(5,6-dihydropyrido[3,2-h]quinazolin-2-ylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Systemtic Name: (2S)-5-(5,6-dihydropyrido[3,2-h]quinazolin-2-ylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-5-(5,6-dihydropyrido[3,2-h]quinazolin-2-ylamino)pentanoic acid CAS Name: (2S)-5-(5,6-dihydropyrido[3,2-h]quinazolin-2-ylamino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-5-(5,6-dihydropyrido[3,2-h]quinazolin-2-ylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-(5,6-dihydropyrido[3,2-h]quinazolin-2-ylamino)valeric acid Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCNC1=NC=C2CCC3=C(C2=N1)N=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCNC1=NC=C2CCC3=C(C2=N1)N=CC=C3)C(=O)O

InChI

InChI=1S/C21H27N5O4/c1-21(2,3)30-20(29)25-15(18(27)28)7-5-11-23-19-24-12-14-9-8-13-6-4-10-22-16(13)17(14)26-19/h4,6,10,12,15H,5,7-9,11H2,1-3H3,(H,25,29)(H,27,28)(H,23,24,26)/t15-/m0/s1