Alanine, N-[N-[N-[1-(4-chlorobenzoyl)-L-prolyl]-L-valyl]-2-methylalanyl]-2-methyl-, methyl ester

SpectraBase Compound ID	B9HE80h4HoI
InChI	InChI=1S/C26H37ClN4O6/c1-15(2)19(21(33)29-25(3,4)23(35)30-26(5,6)24(36)37-7)28-20(32)18-9-8-14-31(18)22(34)16-10-12-17(27)13-11-16/h10-13,15,18-19H,8-9,14H2,1-7H3,(H,28,32)(H,29,33)(H,30,35)/t18-,19-/m0/s1
InChIKey	NIDUQROPZCZBSK-OALUTQOASA-N Google Search
Mol Weight	537.1 g/mol
Molecular Formula	C26H37ClN4O6
Exact Mass	536.240163 g/mol

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SpectraBase Spectrum ID	GcP0S9gwztI
Name	Alanine, N-[N-[N-[1-(4-chlorobenzoyl)-L-prolyl]-L-valyl]-2-methylalanyl]-2-methyl-, methyl ester
Alternate Name(s)	Methyl 2-[(2-{[(2S)-2-({[(2S)-1-(4-chlorobenzoyl)pyrrolidinyl]carbonyl}amino)-3-methylbutanoyl]amino}-2-methylpropanoyl)amino]-2-methylpropanoate Methyl N-4-chlorobenzoyl-L-propyl-L-valyl-2-methylalanyl-2-methylalaninate
CAS Registry Number	102674-56-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H37ClN4O6
InChI	InChI=1S/C26H37ClN4O6/c1-15(2)19(21(33)29-25(3,4)23(35)30-26(5,6)24(36)37-7)28-20(32)18-9-8-14-31(18)22(34)16-10-12-17(27)13-11-16/h10-13,15,18-19H,8-9,14H2,1-7H3,(H,28,32)(H,29,33)(H,30,35)/t18-,19-/m0/s1
InChIKey	NIDUQROPZCZBSK-OALUTQOASA-N
Molecular Weight	537.057 g/mol
SMILES	N(C([C@]1(N(C(c2ccc(cc2)Cl)=O)CCC1)[H])=O)[C@](C(NC(C(NC(C(=O)OC)(C)C)=O)(C)C)=O)(C(C)C)[H]
SPLASH	splash10-0550-0573090000-827d397bdaaccbb9d4f0
Source of Spectrum	I-64-278-0
Wiley ID	1404028