CCOC(=O)C12CC1C=CCCCCCC(C(=O)N3CC(CC3C(=O)N2)O)NC(=O)OC(C)(C)C
Nombre: ethyl 18-hydroxy-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
SMILES: CCOC(=O)C12CC1C=CCCCCCC(C(=O)N3CC(CC3C(=O)N2)O)NC(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C25H39N3O7
Molecular weight
493.6
Exact mass
493.2788
XLogP
1.8
TPSA
134.27
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
35
Rings
3
Aromatic rings
0
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.76
Molar refractivity
127.12

Supplementary Information

InChIKey: LNACKEHWUDDQJJ-UHFFFAOYSA-N
Sinónimos
LNACKEHWUDDQJJ-UHFFFAOYSA-N14-tert-butoxycarbonylamino-18-hydroxy-2,15-dioxo-3,16-diaza-tricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid, ethyl ester
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