기본 정보
- CAS
491831-49-3- 표준 SMILES
NC(=O)C[C@H](NC(=O)C1(NC(=O)[C@@H](CC(=O)O)Cc2ccc(CP(=O)(O)O)cc2)CCCCC1)C(=O)NCCCc1cccc2ccccc12- InChIKey
AYRBFDFQLSQIBI-DGPALRBDSA-N- 분자식
- C36H45N4O9P
- 평균 분자량
- 708.7 g/mol
- 단동위원소 질량
- 708.29241602
이름 및 식별자
- 우선 이름
- (R)-N-{1-[(S)-2-Carbamoyl-1-(3-naphthalen-1-yl-propylcarbamoyl)-ethylcarbamoyl]-cyclohexyl}-3-(4-phosphonomethyl-benzyl)-succinamic acid
- IUPAC
- (3R)-4-[[1-[[(2S)-4-amino-1-(3-naphthalen-1-ylpropylamino)-1,4-dioxobutan-2-yl]carbamoyl]cyclohexyl]amino]-4-oxo-3-[[4-(phosphonomethyl)phenyl]methyl]butanoic acid
이름 및 동의어
CHEMBL93367491831-49-3SCHEMBL4956447DTXSID70433649BDBM50118687NSC750514NSC-750514(.beta.R)-.beta.-[[[1-[[[(1S)-3-amino-1-[[[3-(1-naphthalenyl)propyl]amino]carbonyl]-3-oxopropyl]amino]carbonyl]cyclohexyl]amino]carbonyl]-4-(phosphonomethyl)-benzene butanoic acid(3R)-4-[(1-{[(2S)-4-Amino-1-{[3-(naphthalen-1-yl)propyl]amino}-1,4-dioxobutan-2-yl]carbamoyl}cyclohexyl)amino]-4-oxo-3-{[4-(phosphonomethyl)phenyl]methyl}butanoic acid(3R)-4-[[1-[[(2S)-4-amino-1-(3-naphthalen-1-ylpropylamino)-1,4-dioxobutan-2-yl]carbamoyl]cyclohexyl]amino]-4-oxo-3-[[4-(phosphonomethyl)phenyl]methyl]butanoic acid(R)-N-{1-[(S)-2-Carbamoyl-1-(3-naphthalen-1-yl-propylcarbamoyl)-ethylcarbamoyl]-cyclohexyl}-3-(4-phosphonomethyl-benzyl)-succinamic acidN-{1-[(S)-2-Carbamoyl-1-(3-naphthalen-1-yl-propylcarbamoyl)-ethylcarbamoyl]-cyclohexyl}-3-((R)-3-phosphonomethyl-benzyl)-succinamic acid
데이터베이스 식별자
- CAS
491831-49-3- PubChem CID
- 9987336
- DTXSID
DTXSID70433649- ChEMBL
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 225 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,230
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…