Rgd-039
기본 정보
- CAS
169512-45-2- 표준 SMILES
CCN(CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1CCCCC1)C(=O)O)C(=O)CCCC1CCNCC1- InChIKey
RCNHPBQFWAPIOX-SFTDATJTSA-N- 분자식
- C26H44N4O7
- 평균 분자량
- 524.6 g/mol
- 단동위원소 질량
- 524.32099976
이름 및 식별자
- 우선 이름
- Rgd-039
- IUPAC
- (3S)-4-[[(1S)-1-carboxy-2-cyclohexylethyl]amino]-3-[[2-[ethyl(4-piperidin-4-ylbutanoyl)amino]acetyl]amino]-4-oxobutanoic acid
이름 및 동의어
RGD-0397X7F8BX5NYRGD039169512-45-2(3S)-3-(((1S)-1-Carboxy-2-cyclohexylethyl)carbamoyl)-3-(2-(N-ethyl-4-(piperidin-4-yl)butanamido)acetamido)propanoic acidL-Alanine, N-ethyl-N-(1-oxo-4-(4-piperidinyl)butyl)glycyl-L-alpha-aspartyl-3-cyclohexyl-L-Alanine, 3-cyclohexyl-N-(N-(N-ethyl-N-(1-oxo-4-(4-piperidinyl)butyl)glycyl)-L-alpha-aspartyl)-L-ALANINE, 3-CYCLOHEXYL-N-(N-(N-ETHYL-N-(1-OXO-4-(4-PIPERIDINYL)BUTYL)GLYCYL)-L-.ALPHA.-ASPARTYL)-L-ALANINE, N-ETHYL-N-(1-OXO-4-(4-PIPERIDINYL)BUTYL)GLYCYL-L-.ALPHA.-ASPARTYL-3-CYCLOHEXYL-RefChem:202859UNII-7X7F8BX5NYCHEMBL82264
이름 더 보기
SCHEMBL3673630RCNHPBQFWAPIOX-SFTDATJTSA-NBDBM50065171N-[N-[N-(4-(piperidin-4-yl)butanoyl)-N-ethylglycyl]aspartyl]-beta-cyclohexylalanine(S)-N-((S)-1-Carboxy-2-cyclohexyl-ethyl)-3-{2-[ethyl-(4-piperidin-4-yl-butyryl)-amino]-acetylamino}-succinamic acid
데이터베이스 식별자
- CAS
169512-45-2- PubChem CID
- 9984308
- ChEMBL
CHEMBL82264- UNII
- 7X7F8BX5NY
- Nikkaji
- J1.447.840J
물성
구조 계산 물성
- XLogP
- -0.1
- 극성 표면적
- 165 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 779
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