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

Systemtic Name: (2S)-5-(aminocarbonylamino)-2-[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)pentoxycarbonylamino]pentanoic acid Openeye Name: (2S)-2-[5-(4-amino-2-oxo-pyrimidin-1-yl)pentoxycarbonylamino]-5-ureido-pentanoic acid CAS Name: (2S)-2-[[5-(4-amino-2-oxo-1-pyrimidinyl)pentoxy-oxomethyl]amino]-5-(carbamoylamino)pentanoic acid IUPAC Name: (2S)-2-[5-(4-amino-2-oxopyrimidin-1-yl)pentoxycarbonylamino]-5-(carbamoylamino)pentanoic acid Traditional Name: (2S)-2-[5-(4-amino-2-keto-pyrimidin-1-yl)pentoxycarbonylamino]-5-ureido-valeric acid Formula: C16H26N6O6 MolecularWeight: 398.41424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N6O6/c17-12-6-9-22(15(26)21-12)8-2-1-3-10-28-16(27)20-11(13(23)24)5-4-7-19-14(18)25/h6,9,11H,1-5,7-8,10H2,(H,20,27)(H,23,24)(H2,17,21,26)(H3,18,19,25)/t11-/m0/s1