benzyl (1S)-1-({[(1S)-2-amino-1-benzyl-2-oxoethyl]amino}carbonyl)-3-(methylsulfanyl)propylcarbamate

SpectraBase Compound ID	7CO3Hc9Fj6t
InChI	InChI=1S/C22H27N3O4S/c1-30-13-12-18(25-22(28)29-15-17-10-6-3-7-11-17)21(27)24-19(20(23)26)14-16-8-4-2-5-9-16/h2-11,18-19H,12-15H2,1H3,(H2,23,26)(H,24,27)(H,25,28)
InChIKey	IHIPHJZMMKKLPF-UHFFFAOYSA-N Google Search
Mol Weight	429.54 g/mol
Molecular Formula	C22H27N3O4S
Exact Mass	429.172228 g/mol

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SpectraBase Spectrum ID	1GEl4cvc1jW
Name	benzyl (1S)-1-({[(1S)-2-amino-1-benzyl-2-oxoethyl]amino}carbonyl)-3-(methylsulfanyl)propylcarbamate
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C22H27N3O4S/c1-30-13-12-18(25-22(28)29-15-17-10-6-3-7-11-17)21(27)24-19(20(23)26)14-16-8-4-2-5-9-16/h2-11,18-19H,12-15H2,1H3,(H2,23,26)(H,24,27)(H,25,28)
InChIKey	IHIPHJZMMKKLPF-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_17977
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: 987/00006503; Labnumber: 987/00006503218880; VK_ID: VK-017984
Synonyms	benzyl 1-({[2-amino-1-benzyl-2-oxoethyl]amino}carbonyl)-3-(methylsulfanyl)propylcarbamate
Temperature	308 °C