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CHEBI:42367 - ethyl (2E,4S)-4-[((2R)-2-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-2-phenylethanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate

ChEBI IDCHEBI:42367
ChEBI Nameethyl (2E,4S)-4-[((2R)-2-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-2-phenylethanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Stars
ASCII Nameethyl (2E,4S)-4-[((2R)-2-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-2-phenylethanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Last Modified2 March 2015
DownloadsMolfile
FormulaC29H42N4O7
Net Charge0
Average Mass558.676
Monoisotopic Mass558.30535
SMILES[H]/C(C(=O)OC([H])([H])C([H])([H])[H])=C(/[H])[C@@]([H])(N([H])C(=O)[C@]([H])(c1c([H])c([H])c([H])c([H])c1[H])N([H])C(=O)[C@@]([H])(N([H])C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@@]1([H])C(=O)N([H])C([H])([H])C1([H])[H]
InChIInChI=1S/C29H42N4O7/c1-7-39-22(34)14-13-21(17-20-15-16-30-25(20)35)31-27(37)24(19-11-9-8-10-12-19)32-26(36)23(18(2)3)33-28(38)40-29(4,5)6/h8-14,18,20-21,23-24H,7,15-17H2,1-6H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)/b14-13+/t20-,21+,23-,24-/m0/s1
InChIKeyNUDVEHBHDBJSMD-FORQOIBDSA-N
ChEBI Ontology
Outgoing Relation(s)
ethyl (2E,4S)-4-[((2R)-2-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-2-phenylethanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate (CHEBI:42367) has functional parent pent-2-enoic acid (CHEBI:35939)
ethyl (2E,4S)-4-[((2R)-2-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-2-phenylethanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate (CHEBI:42367) is a ethyl ester (CHEBI:23990)
ethyl (2E,4S)-4-[((2R)-2-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-2-phenylethanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate (CHEBI:42367) is a pyrrolidin-2-ones (CHEBI:74223)
ethyl (2E,4S)-4-[((2R)-2-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-2-phenylethanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate (CHEBI:42367) is a valine derivative (CHEBI:27267)
Synonyms  Source
ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)-L-VALYL]AMINO}-2-PHENYLETHANOYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATEPDBeChem
ethyl (2E,4S)-4-{[(2S)-2-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-2-phenylacetyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoatePDBeChem
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