COC(=O)C(CC1=CC2=C(C=C1)NC=C2)NC(=O)OCC3=CC=CC=C3
الاسم: methyl (2S)-3-(1H-indol-5-yl)-2-(phenylmethoxycarbonylamino)propanoate
SMILES: COC(=O)C(CC1=CC2=C(C=C1)NC=C2)NC(=O)OCC3=CC=CC=C3

Molecular Processing

Molecular formula
C20H20N2O4
Molecular weight
352.39
Exact mass
352.1423
XLogP
3.18
TPSA
80.42
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
97.57

Supplementary Information

InChIKey: UCWWEWJPXRQRFO-SFHVURJKSA-N
مرادفات
SCHEMBL16119161UCWWEWJPXRQRFO-SFHVURJKSA-N(S)-methyl 2-(benzyloxycarbonylamino)-3-(1H-indol-5-yl)propanoate
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