NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
名称: lypressin
SMILES: NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O

Molecular Processing

Molecular formula
C46H65N13O12S2
Molecular weight
1056.24
Exact mass
1055.4317
XLogP
-4.33
TPSA
425.55
H-bond donors
13
H-bond acceptors
16
Rotatable bonds
19
Heavy atoms
73
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
27
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
268.52

Supplementary Information

詳細情報を取得中…

2 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→