(2S)-2-[(2S)-2-amino-3-(2-methylbut-3-en-2-yloxy)propanoyl]-1-[(2R,3S)-2,3-diamino-2-[(2S,3R)-4-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-4-oxobutan-2-yl]-5-methylhexanoyl]-3-(2-iminoacetyl)pyrrolidine-2-carbaldehyde
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기본 정보
- CAS
177742-52-8- 표준 SMILES
C=CC(C)(C)OC[C@H](N)C(=O)[C@@]1(C=O)C(C(=O)C=N)CCN1C(=O)[C@](N)([C@@H](N)CC(C)C)[C@@H](C)[C@@H](C)C(=O)C1=NCCS1- InChIKey
FCGBWFPYRURNCX-KESUXUJOSA-N- 분자식
- C30H48N6O6S
- 평균 분자량
- 620.8 g/mol
- 단동위원소 질량
- 620.33560445
이름 및 식별자
- 우선 이름
- (2S)-2-[(2S)-2-amino-3-(2-methylbut-3-en-2-yloxy)propanoyl]-1-[(2R,3S)-2,3-diamino-2-[(2S,3R)-4-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-4-oxobutan-2-yl]-5-methylhexanoyl]-3-(2-iminoacetyl)pyrrolidine-2-carbaldehyde
- IUPAC
- (2S)-2-[(2S)-2-amino-3-(2-methylbut-3-en-2-yloxy)propanoyl]-1-[(2R,3S)-2,3-diamino-2-[(2S,3R)-4-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-4-oxobutan-2-yl]-5-methylhexanoyl]-3-(2-iminoacetyl)pyrrolidine-2-carbaldehyde
- 영어명
- keenamide A
- 분자식
- C30H48N6O6S
- 분자량
- 620.81
이름 및 동의어
(2S)-2-[(2S)-2-amino-3-(2-methylbut-3-en-2-yloxy)propanoyl]-1-[(2R,3S)-2,3-diamino-2-[(2S,3R)-4-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-4-oxobutan-2-yl]-5-methylhexanoyl]-3-(2-iminoacetyl)pyrrolidine-2-carbaldehydeCyclo(glycyl-O-(1,1-dimethyl-2-propenyl)-L-seryl-(4R)-2-((1S)-1-amino-3-methylbutyl)-4,5-dihydro-4-thiazolecarbonyl-L-isoleucyl-L-prolyl)L-Serine, N-((2-(1-amino-3-methylbutyl)-4,5-dihydro-4-thiazolyl)carbonyl)-L-isoleucyl-L-prolylglycyl-O-(1,1-dimethyl-2-propenyl)-, cyclic(4-1)-peptide, (R-(R*,S*))-keenamide ACyclo[(4R)-2-[(1S)-1-amino-3-methylbutyl]-4,5-dihydro-4-thiazolecarbonyl-L-isoleucyl-L-prolylglycyl-O-(1,1-dimethyl-2-propen-1-yl)-L-seryl]
데이터베이스 식별자
- CAS
177742-52-8- PubChem CID
- 177317
물성
구조 계산 물성보충 중
- XLogP
- -0.1
- 극성 표면적
- 237 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,160
물리화학적 성질
- 끓는 점
- 924.2 · 924.2±65.0 °C(Predicted)
- 밀도
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.53 · 12.53±0.70(Predicted)
관련 반응
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