CC(C)(C)OC(=O)N(CC1=NC=C(C=C1)C(=O)NC(CCCNC2CCCC3=C2N=CC=C3)C(=O)O)CC4=CC=CC=N4
Nombre: (2S)-2-[[6-[[(2-methylpropan-2-yl)oxycarbonyl-(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carbonyl]amino]-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentanoic acid
SMILES: CC(C)(C)OC(=O)N(CC1=NC=C(C=C1)C(=O)NC(CCCNC2CCCC3=C2N=CC=C3)C(=O)O)CC4=CC=CC=N4

Molecular Processing

Molecular formula
C32H40N6O5
Molecular weight
588.71
Exact mass
588.306
XLogP
4.44
TPSA
146.64
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
43
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
160

Supplementary Information

InChIKey: QMSGXWZWFMTTHF-GEVKEYJPSA-N
Sinónimos
QMSGXWZWFMTTHF-GEVKEYJPSA-N(2S)-2-(2-(N-Boc-N-2-picolylaminomethyl)pyridin-5-ylcarbonyl)amino-5-(5,6,7,8-tetrahydroquinolin-8-yl)aminovaleric Acid
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