Molecule ID: 38988970

IUPAC Name: (2S,3S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-3-[[(3S)-3-azaniumyl-5-[diaminomethylidene(methyl)azaniumyl]pentanoyl]amino]-3,6-dihydro-2H-pyran-2-carboxylate

Description: The molecule is a guanidinium ion that is the conjugate acid of blasticidin S. It is a guanidinium ion and an antibiotic antifungal agent. It is a conjugate acid of a blasticidin S.

SMILES: CN(CC[C@H]([NH3+])CC(=O)[N-][C@H]1C=C[C@H](n2ccc(=[NH2+])nc2O)O[C@@H]1C(=O)O)C(=N)N

SELFIES: [C][N][Branch2][Ring2][Branch2][C][C][C@H1][Branch1][C][NH3+1][C][C][=Branch1][C][=O][N-1][C@H1][C][=C][C@H1][Branch1][=N][N][C][=C][C][=Branch1][C][=NH2+1][N][=C][Ring1][#Branch1][O][O][C@@H1][Ring1][=C][C][=Branch1][C][=O][O][C][=Branch1][C][=N][N]

InChI: InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H7,19,20,21,22,23,26,27,28,29)/p+1/t9-,10-,13+,14-/m0/s1

Molecular Properties:
- Polar Surface Area: 220.0 Ų
- LogP: -5.2