Molecule ID: 11727393

IUPAC Name: [(4S,6S,7R,8S)-13-hydroxy-7-methoxy-12-methyl-10,11-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),12-dien-8-yl]methyl carbamate

Description: The molecule is a member of the family of mitomycins that is mitomycin A in which the methoxy group on the quinone ring is replaced by a hydroxy group. It is a mitomycin and an organic heterotetracyclic compound. It is a conjugate acid of a 7-demethylmitomycin A(1-).

SMILES: CO[C@@]12[C@H](COC(=N)O)C3=C(C(O)=C(C)C(=O)C3=O)N1C[C@@H]1N[C@@H]12

SELFIES: [C][O][C@@][C@H1][Branch1][Branch2][C][O][C][=Branch1][C][=N][O][C][=C][Branch1][P][C][Branch1][C][O][=C][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch2][=O][N][Ring2][Ring1][C][C][C@@H1][N][C@@H1][Ring1][Ring1][Ring2][Ring1][=Branch1]

InChI: InChI=1S/C15H17N3O6/c1-5-10(19)9-8(12(21)11(5)20)6(4-24-14(16)22)15(23-2)13-7(17-13)3-18(9)15/h6-7,13,17,19H,3-4H2,1-2H3,(H2,16,22)/t6-,7+,13+,15-/m1/s1

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: -1.8