1-tert-butyl 2,5-dioxopyrrolidin-1-yl (2S)-2-hexadecanamidopentanedioate

1-tert-butyl 2,5-dioxopyrrolidin-1-yl (2S)-2-hexadecanamidopentanedioate

CAS: 204521-63-1

Formula: C29H50N2O7

SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C

IUPAC: 1-tert-butyl 2,5-dioxopyrrolidin-1-yl (2S)-2-hexadecanamidopentanedioate

InChI: InChI=1S/C29H50N2O7/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(32)30-23(28(36)37-29(2,3)4)19-22-27(35)38-31-25(33)20-21-26(31)34/h23H,5-22H2,1-4H3,(H,30,32)/t23-/m0/s1

Composition: C (64.66%), H (9.36%), N (5.20%), O (20.79%)

Molar Mass: 538.726

Atom Count: 88

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	538.361801958
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	MKJFKKLCCRQPHN-QHCPKHFHSA-N
Lipinski's Rule of Five
Molar Refractivity	144.3
Topological Polar Surface Area	119.08
Polarizability	57.48
Ring Count	1
Rotatable Bond Count	23

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