Unii-118E4WJ2X6
기본 정보
- CAS
1438850-02-2- 표준 SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)C(C)(C)N(C)C(=O)CCCCCN1C(=O)C=CC1=O)C(C)C- InChIKey
KXMYSYKVFYTFMW-UEDHTMJLSA-N- 분자식
- C48H74N6O11
- 평균 분자량
- 911.1 g/mol
이름 및 식별자
- 우선 이름
- Unii-118E4WJ2X6
- IUPAC
- (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl-methylamino]-2-methylpropanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid
이름 및 동의어
MC-3377118E4WJ2X6MC3377MC-PF-06463377UNII-118E4WJ2X61438850-02-2LP2L-Phenylalanine, N-(6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl)-N,2-dimethylalanyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(alphaR,betaR,2S)-beta-methoxy-alpha-methyl-2-pyrrolidinepropanoyl-SCHEMBL14957349KXMYSYKVFYTFMW-UEDHTMJLSA-NL-PHENYLALANINE, N-(6-(2,5-DIHYDRO-2,5-DIOXO-1H-PYRROL-1-YL)-1-OXOHEXYL)-N,2-DIMETHYLALANYL-L-VALYL-(3R,4S,5S)-3-METHOXY-5-METHYL-4-(METHYLAMINO)HEPTANOYL-(.ALPHA.R,.BETA.R,2S)-.BETA.-METHOXY-.ALPHA.-METHYL-2-PYRROLIDINEPROPANOYL-N-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl]-N,2-dimethylalanyl-N-{(1S,2R)-4-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl}-N-methyl-L-valinamide
데이터베이스 식별자
- CAS
1438850-02-2- PubChem CID
- 86685783
- UNII
- 118E4WJ2X6
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 212 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 26
- 무거운 원자 수
- 65
- 형식 전하
- 0
- 복잡도
- 1,680
관련 반응
2건
화합물 노트
불러오는 중…