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(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-{1-[(4-methylphenyl)diphenylmethyl]imidazol-4-yl}propanoic acid

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-{1-[(4-methylphenyl)diphenylmethyl]imidazol-4-yl}propanoic acid

CAS: 133367-34-7

Formula: C41H35N3O4

SMILES: CC1=CC=C(C=C1)C(N1C=NC(C[C@H](NC(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)C(O)=O)=C1)(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-{1-[(4-methylphenyl)diphenylmethyl]-1H-imidazol-4-yl}propanoic acid

InChI: InChI=1S/C41H35N3O4/c1-28-20-22-31(23-21-28)41(29-12-4-2-5-13-29,30-14-6-3-7-15-30)44-25-32(42-27-44)24-38(39(45)46)43-40(47)48-26-37-35-18-10-8-16-33(35)34-17-9-11-19-36(34)37/h2-23,25,27,37-38H,24,26H2,1H3,(H,43,47)(H,45,46)/t38-/m0/s1

Composition: C (77.70%), H (5.57%), N (6.63%), O (10.10%)

Molar Mass: 633.748

Atom Count: 83

Heavy Atom Count: 48

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 1
Exact Mass 633.262756619
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey MNOCIIYDYLYWEU-LHEWISCISA-N
Lipinski's Rule of Five
Molar Refractivity 186.56
Topological Polar Surface Area 93.45
Polarizability 72.74
Ring Count 7
Rotatable Bond Count 11

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98% <14 Days 133367-34-7 Quote Only