C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CN1CCC[C@H]1C(=O)OC(C)(C)C
이름: tert-butyl (2S)-1-[(3S)-2-oxo-4-phenyl-3-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butyl]pyrrolidine-2-carboxylate
SMILES: C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CN1CCC[C@H]1C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C30H39N3O6
Molecular weight
537.66
Exact mass
537.2839
XLogP
3.4
TPSA
114.04
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
39
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
146.75

Supplementary Information

InChIKey: GCBSSXVNHAVPLC-TUSQITKMSA-N
동의어
SCHEMBL7267345GCBSSXVNHAVPLC-TUSQITKMSA-NN-[[N-[N-(benzyloxycarbonyl)-L-alanyl]-L-phenylalanyl]-methyl]-L-proline tert.butyl esterN-[[N-[N-(benzyloxycarbonyl)-L-alanyl]-L-phenylalanyl]methyl]-L-proline tert.butyl ester
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