CC(C)(C)OC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)NC(CCC(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C
Nombre: 5-O-benzyl 1-O-tert-butyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoylamino]pentanedioate
SMILES: CC(C)(C)OC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)NC(CCC(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C35H49N3O9
Molecular weight
655.79
Exact mass
655.3469
XLogP
5.33
TPSA
158.36
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
16
Heavy atoms
47
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.514
Molar refractivity
174.89

Supplementary Information

InChIKey: NDCOPGQAMIKMRD-NSOVKSMOSA-N
Sinónimos
SCHEMBL2498985NDCOPGQAMIKMRD-NSOVKSMOSA-N(9S,13S)-15-benzyl 13,9-di-tert-butyl 3,11-dioxo-1-phenyl-2-oxa-4,10,12-triazapentadecane-9,13,15-tricarboxylate
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