기본 정보
- 표준 SMILES
CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)NCC(=O)O)cc3)CC2)ccc1O- InChIKey
LSFBOYIJGPJWMG-NRFANRHFSA-N- 분자식
- C23H30N4O7S
- 평균 분자량
- 506.6 g/mol
이름 및 식별자
- 우선 이름
- [(4-{4-[((2R)-2-Hydroxy-2-[4-hydroxy-3-[(methylsulfonyl)amino]phenyl]ethyl)amino]-1-piperidinyl}benzoyl)amino]acetic acid
- IUPAC
- 2-[[4-[4-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]benzoyl]amino]acetic acid
이름 및 동의어
CHEMBL36568[(4-{4-[((2R)-2-Hydroxy-2-[4-hydroxy-3-[(methylsulfonyl)amino]phenyl]ethyl)amino]-1-piperidinyl}benzoyl)amino]acetic acid[(4-{4-[((2R)-2-Hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl)amino]-1-piperidinyl}benzoyl)amino]acetic acidSCHEMBL6074562LSFBOYIJGPJWMG-NRFANRHFSA-NBDBM50098654(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-piperidin-1-yl}-benzoylamino)-acetic acid[(4-{4-[((2R)-2-Hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl]ethyl)amino]-1-piperidineyl}benzoyl)amino]acetic acid
데이터베이스 식별자
- PubChem CID
- 10553602
- ChEMBL
CHEMBL36568- Nikkaji
- J1.540.738G
물성
구조 계산 물성
- XLogP
- -1.8
- 극성 표면적
- 177 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 805
관련 반응
2건
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