COC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc(Cl)ccc1N
Name: methyl (2S)-2-[(2-amino-5-chlorobenzoyl)amino]-3-(4-bromophenyl)propanoate
SMILES: COC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc(Cl)ccc1N

Molecular Processing

Molecular formula
C17H16BrClN2O3
Molecular weight
411.68
Exact mass
410.0033
XLogP
3.2
TPSA
81.42
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
96.98

Supplementary Information

InChIKey: FUUTYJNBPXXEFE-HNNXBMFYSA-N
Synonyme
SCHEMBL3979425FUUTYJNBPXXEFE-HNNXBMFYSA-N(2S)-(2-Amino-5-chloro-benzoylamino)-3-(4-bromo-phenyl)-propionic acid methyl ester(S)-2-(2-amino-5-chloro-benzoylamino)-3-(4-bromo-phenyl)-propionic acid methyl ester
Quelle anzeigen →
An 3 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→