(2S)-3-carbamoyl-2-[N-(triphenylmethyl)acetamido]propanoic acid

(2S)-3-carbamoyl-2-[N-(triphenylmethyl)acetamido]propanoic acid

CAS: 163277-78-9

Formula: C25H24N2O4

SMILES: CC(=O)N([C@@H](CC(N)=O)C(O)=O)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: (2S)-3-carbamoyl-2-[N-(triphenylmethyl)acetamido]propanoic acid

InChI: InChI=1S/C25H24N2O4/c1-18(28)27(22(24(30)31)17-23(26)29)25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17H2,1H3,(H2,26,29)(H,30,31)/t22-/m0/s1

Composition: C (72.10%), H (5.81%), N (6.73%), O (15.37%)

Molar Mass: 416.477

Atom Count: 55

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	416.173607261
Formal Charge	0
FSP3	0.16
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	WFYYRTNTXJTDKV-QFIPXVFZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.75
Topological Polar Surface Area	100.7
Polarizability	45.32
Ring Count	3
Rotatable Bond Count	8

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