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2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl-(R)-phenylalanyl-(S)-alanyl)amino]-6-methyl-, ethyl ester
SpectraBase Compound ID IbxmIgbtZN9
InChI InChI=1S/C27H41N3O6/c1-8-35-23(31)15-14-21(16-18(2)3)29-24(32)19(4)28-25(33)22(17-20-12-10-9-11-13-20)30-26(34)36-27(5,6)7/h9-15,18-19,21-22H,8,16-17H2,1-7H3,(H,28,33)(H,29,32)(H,30,34)/b15-14+
InChIKey YQMFTGUVCAXENX-CCEZHUSRSA-N
Mol Weight 503.6 g/mol
Molecular Formula C27H41N3O6
Exact Mass 503.299536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6ql0hd2QR4
Name 2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl-(R)-phenylalanyl-(S)-alanyl)amino]-6-methyl-, ethyl ester
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Formula C27H41N3O6
InChI InChI=1S/C27H41N3O6/c1-8-35-23(31)15-14-21(16-18(2)3)29-24(32)19(4)28-25(33)22(17-20-12-10-9-11-13-20)30-26(34)36-27(5,6)7/h9-15,18-19,21-22H,8,16-17H2,1-7H3,(H,28,33)(H,29,32)(H,30,34)/b15-14+
InChIKey YQMFTGUVCAXENX-CCEZHUSRSA-N
Molecular Weight 503.640 g/mol
SMILES N(C(C(NC(C(NC(OC(C)(C)C)=O)Cc1ccccc1)=O)C)=O)C(\C=C\C(OCC)=O)CC(C)C
SPLASH splash10-006x-7931000000-5c3d5f37c5417618df38
Synonyms 2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl-(S)-phenylalanyl-(S)-alanyl)amino]-6-methyl-, ethyl ester (E)-4-[2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]propanoylamino]-6-methyl-hept-2-enoic acid ethyl ester (E)-6-methyl-4-[[2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-2-heptenoic acid ethyl ester Ethyl (13E)-6-benzyl-12-isobutyl-2,2,9-trimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazapentadec-13-en-15-oate Ethyl (E)-4-[2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]propanoylamino]-6-methyl-hept-2-enoate Ethyl (E)-6-methyl-4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]propanoylamino]hept-2-enoate
Wiley ID 1493525