(1R,2S,4S)-(5Z)-(+)-Benzyl-N-{1-[2-(5-{[2-methoxymethyl]pyrrolidin-1-yl]imino}-2,2-dimethyl-1,3-dioxan-4-yl)ethyltridecyl]carbamate

SpectraBase Compound ID	5ijbI1AQHI7
InChI	InChI=1S/C35H59N3O5/c1-5-6-7-8-9-10-11-12-13-17-21-30(36-34(39)41-26-29-19-15-14-16-20-29)23-24-33-32(28-42-35(2,3)43-33)37-38-25-18-22-31(38)27-40-4/h14-16,19-20,30-31,33H,5-13,17-18,21-28H2,1-4H3,(H,36,39)/b37-32-/t30-,31+,33+/m1/s1
InChIKey	OPFPDNPRTPWXLH-HLRVPPCESA-N Google Search
Mol Weight	601.9 g/mol
Molecular Formula	C35H59N3O5
Exact Mass	601.445472 g/mol

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SpectraBase Spectrum ID	IbV5POF19u0
Name	(1R,2S,4S)-(5Z)-(+)-Benzyl-N-{1-[2-(5-{[2-methoxymethyl]pyrrolidin-1-yl]imino}-2,2-dimethyl-1,3-dioxan-4-yl)ethyltridecyl]carbamate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C35H59N3O5
InChI	InChI=1S/C35H59N3O5/c1-5-6-7-8-9-10-11-12-13-17-21-30(36-34(39)41-26-29-19-15-14-16-20-29)23-24-33-32(28-42-35(2,3)43-33)37-38-25-18-22-31(38)27-40-4/h14-16,19-20,30-31,33H,5-13,17-18,21-28H2,1-4H3,(H,36,39)/b37-32-/t30-,31+,33+/m1/s1
InChIKey	OPFPDNPRTPWXLH-HLRVPPCESA-N
Molecular Weight	601.873 g/mol
SMILES	N(C(=O)OCc1ccccc1)[C@@](CC[C@@]1(OC(OC\C1=N/N1[C@](COC)(CCC1)[H])(C)C)[H])(CCCCCCCCCCCC)[H]
SPLASH	splash10-001i-1001920000-2ae608365421672729b0
Source of Spectrum	SO-0-2104-15
Synonyms	N-[(3R)-1-[(4S,5Z)-5-[[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]imino]-2,2-dimethyl-1,3-dioxan-4-yl]pentadecan-3-yl]carbamic acid (phenylmethyl) ester benzyl N-[(3R)-1-[(4S,5Z)-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-2,2-dimethyl-1,3-dioxan-4-yl]pentadecan-3-yl]carbamate benzyl N-[(1R)-1-[2-[(4S,5Z)-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]tridecyl]carbamate (phenylmethyl) N-[(3R)-1-[(4S,5Z)-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-2,2-dimethyl-1,3-dioxan-4-yl]pentadecan-3-yl]carbamate
Wiley ID	878399