(2S)-5-(aminocarbonylamino)-2-[6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)hexoxycarbonylamino]pentanoic acid

Systemtic Name: (2S)-5-(aminocarbonylamino)-2-[6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)hexoxycarbonylamino]pentanoic acid Openeye Name: (2S)-2-[6-(4-amino-2-oxo-pyrimidin-1-yl)hexoxycarbonylamino]-5-ureido-pentanoic acid CAS Name: (2S)-2-[[6-(4-amino-2-oxo-1-pyrimidinyl)hexoxy-oxomethyl]amino]-5-(carbamoylamino)pentanoic acid IUPAC Name: (2S)-2-[6-(4-amino-2-oxopyrimidin-1-yl)hexoxycarbonylamino]-5-(carbamoylamino)pentanoic acid Traditional Name: (2S)-2-[6-(4-amino-2-keto-pyrimidin-1-yl)hexoxycarbonylamino]-5-ureido-valeric acid Formula: C17H28N6O6 MolecularWeight: 412.44082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)CCCCCCOC(=O)NC(CCCNC(=O)N)C(=O)O

Isomeric SMILES

C1=CN(C(=O)N=C1N)CCCCCCOC(=O)N[C@@H](CCCNC(=O)N)C(=O)O

InChI

InChI=1S/C17H28N6O6/c18-13-7-10-23(16(27)22-13)9-3-1-2-4-11-29-17(28)21-12(14(24)25)6-5-8-20-15(19)26/h7,10,12H,1-6,8-9,11H2,(H,21,28)(H,24,25)(H2,18,22,27)(H3,19,20,26)/t12-/m0/s1