Heptanoic acid, (3RS,4S)-4-[(t-butoxycarbonyl-(R)-phenylalanyl-(S)-alanyl)amino]-3,6-dimethyl-, ethyl ester

SpectraBase Compound ID	Jgf16eROS4D
InChI	InChI=1S/C28H45N3O6/c1-9-36-24(32)16-19(4)22(15-18(2)3)30-25(33)20(5)29-26(34)23(17-21-13-11-10-12-14-21)31-27(35)37-28(6,7)8/h10-14,18-20,22-23H,9,15-17H2,1-8H3,(H,29,34)(H,30,33)(H,31,35)
InChIKey	URPJISXYKLONHI-UHFFFAOYSA-N Google Search
Mol Weight	519.7 g/mol
Molecular Formula	C28H45N3O6
Exact Mass	519.330836 g/mol

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SpectraBase Spectrum ID	8my5uw9E4CN
Name	Heptanoic acid, (3RS,4S)-4-[(t-butoxycarbonyl-(R)-phenylalanyl-(S)-alanyl)amino]-3,6-dimethyl-, ethyl ester
Alternate Name(s)	Heptanoic acid, (3RS,4S)-4-[(t-butoxycarbonyl-(S)-phenylalanyl-(S)-alanyl)amino]-3,6-dimethyl-, ethyl ester 3,6-Dimethyl-4-[[2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]heptanoic acid ethyl ester 4-[2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]propanoylamino]-3,6-dimethyl-enanthic acid ethyl ester Ethyl 6-benzyl-12-isobutyl-2,2,9,13-tetramethyl-4,7,10-trioxo-3-oxa-5,8,11-triazapentadecan-15-oate Ethyl 3,6-dimethyl-4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoylamino]heptanoate Ethyl 4-[2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]propanoylamino]-3,6-dimethyl-heptanoate Ethyl 3,6-dimethyl-4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]propanoylamino]heptanoate
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Formula	C28H45N3O6
InChI	InChI=1S/C28H45N3O6/c1-9-36-24(32)16-19(4)22(15-18(2)3)30-25(33)20(5)29-26(34)23(17-21-13-11-10-12-14-21)31-27(35)37-28(6,7)8/h10-14,18-20,22-23H,9,15-17H2,1-8H3,(H,29,34)(H,30,33)(H,31,35)
InChIKey	URPJISXYKLONHI-UHFFFAOYSA-N
Molecular Weight	519.683 g/mol
SMILES	N(C(C(=O)NC(C(NC(C(C)CC(=O)OCC)CC(C)C)=O)C)Cc1ccccc1)C(OC(C)(C)C)=O
SPLASH	splash10-052f-9420000000-85fe1b2e0796cda3d55e
Source of Spectrum	CM-1999-25922-0
Wiley ID	488276