Chem
J-GLOBAL ID：201707005582918648
Nikkaji number：J3.598.619G
(3S)-3-(tert-Butoxycarbonylamino)-4-oxo-4-[(2S)-2-[(1Z,3R)-1-chloro-3-isopropyl-4-oxo-4-[[(αR)-α-methylbenzyl]amino]-1-butenyl]pyrrolizino]butanoic acid
(3S)-3-(tert-ブトキシカルボニルアミノ)-4-オキソ-4-[(2S)-2-[(1Z,3R)-1-クロロ-3-イソプロピル-4-オキソ-4-[[(αR)-α-メチルベンジル]アミノ]-1-ブテニル]ピロリジノ]ブタン酸
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C28H40ClN3O6
Molecular formula furigana： C28-H40-CL-N3-O6
Molecular weight： 550.090
InChI：
InChI=1S/C28H40ClN3O6/c1-17(2)20(25(35)30-18(3)19-11-8-7-9-12-19)15-21(29)23-13-10-14-32(23)26(36)22(16-24(33)34)31-27(37)38-28(4,5)6/h7-9,11-12,15,17-18,20,22-23H,10,13-14,16H2,1-6H3,(H,30,35)(H,31,37)(H,33,34)/b21-15-/t18-,20+,22+,23+/m1/s1
InChI key：
LZZJETHUAGSBID-MZGKRGTJSA-N
SMILES：
CC(C)[C@H](/C=C(\Cl)/[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccccc1
Systematic name (3)：
- (3S)-3-(tert-ブトキシカルボニルアミノ)-4-オキソ-4-[(2S)-2-[(1Z,3R)-1-クロロ-3-イソプロピル-4-オキソ-4-[[(αR)-α-メチルベンジル]アミノ]-1-ブテニル]ピロリジノ]ブタン酸
- (3S)-3-{[(tert-ブトキシ)カルボニル]アミノ}-4-[(2S)-2-[(1E,3R)-1-クロロ-3-{[(1R)-1-フェニルエチル]カルバモイル}-3-(プロパン-2-イル)プロパ-1-エン-1-イル]ピロリジン-1-イル]-4-オキソブタン酸
- (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-[(2S)-2-[(1E,3R)-1-chloro-3-{[(1R)-1-phenylethyl]carbamoyl}-3-(propan-2-yl)prop-1-en-1-yl]pyrrolidin-1-yl]-4-oxobutanoic acid
- (3S)-3-(tert-Butoxycarbonylamino)-4-oxo-4-[(2S)-2-[(1Z,3R)-1-chloro-3-isopropyl-4-oxo-4-[[(αR)-α-methylbenzyl]amino]-1-butenyl]pyrrolizino]butanoic acid
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