(2S)-5-[bis(azanyl)methylideneamino]-2-[5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]pentoxycarbonylamino]pentanoic acid

Systemtic Name: (2S)-5-[bis(azanyl)methylideneamino]-2-[5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]pentoxycarbonylamino]pentanoic acid Openeye Name: (2S)-5-guanidino-2-[5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)pentoxycarbonylamino]pentanoic acid CAS Name: (2S)-5-(diaminomethylideneamino)-2-[[5-(5-methyl-2,4-dioxo-1-pyrimidinyl)pentoxy-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-5-(diaminomethylideneamino)-2-[5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentoxycarbonylamino]pentanoic acid Traditional Name: (2S)-2-[5-(2,4-diketo-5-methyl-pyrimidin-1-yl)pentoxycarbonylamino]-5-guanidino-valeric acid Formula: C17H28N6O6 MolecularWeight: 412.44082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)CCCCCOC(=O)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)CCCCCOC(=O)N[C@@H](CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C17H28N6O6/c1-11-10-23(16(27)22-13(11)24)8-3-2-4-9-29-17(28)21-12(14(25)26)6-5-7-20-15(18)19/h10,12H,2-9H2,1H3,(H,21,28)(H,25,26)(H4,18,19,20)(H,22,24,27)/t12-/m0/s1