N-(2-Hydroxy-5-{(1R)-1-hydroxy-2-[2-(4-(1-[4-(3-octyl-ureido)-benzenesulfonyl]-piperidin-4-ylamino}-phenyl)-ethylamino]-ethyl}-phenyl)-methanesulfonamide (HCID 69985573)

기본 정보

표준 SMILES: CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(Nc3ccc(CCNC[C@H](O)c4ccc(O)c(NS(C)(=O)=O)c4)cc3)CC2)cc1
InChIKey: DPNDKIUSKWEZGN-BHVANESWSA-N
분자식: C37H54N6O7S2
평균 분자량: 759 g/mol
단동위원소 질량: 758.34954043

이름 및 식별자

우선 이름: N-(2-Hydroxy-5-{(1R)-1-hydroxy-2-[2-(4-(1-[4-(3-octyl-ureido)-benzenesulfonyl]-piperidin-4-ylamino}-phenyl)-ethylamino]-ethyl}-phenyl)-methanesulfonamide
IUPAC: 1-[4-[4-[4-[2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]ethyl]anilino]piperidin-1-yl]sulfonylphenyl]-3-octylurea

이름 및 동의어

SCHEMBL7091335DPNDKIUSKWEZGN-BHVANESWSA-NN-(2-Hydroxy-5-{(1R)-1-hydroxy-2-[2-(4-( 1-[4-(3-octyl-ureido)-benzenesulfonyl]-piperidin-4-ylamino}-phenyl)-ethylamino]-ethyl}-phenyl)-methanesulfonamideN-(2-Hydroxy-5-{(1R)-1-hydroxy-2-[2-(4-(1-[4-(3-octyl-ureido)-benzenesulfonyl]-piperidin-4-ylamino}-phenyl)-ethylamino]-ethyl}-phenyl)-methanesulfonamide

데이터베이스 식별자

PubChem CID: 69985573

물성

구조 계산 물성

XLogP: 5
극성 표면적: 206 Å²
수소 결합 공여자 수: 7
수소 결합 수용자 수: 11
회전 가능 결합 수: 20
무거운 원자 수: 52
형식 전하: 0
복잡도: 1,240

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