Methyl[(4-{4-[((2r)-2-hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl)amino]-1-piperidinyl}benzoyl)amino]acetate (HCID 91418973)

기본 정보

표준 SMILES: COC(=O)CNC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1
InChIKey: LBNNLJMJUUNTMH-QFIPXVFZSA-N
분자식: C24H32N4O7S
평균 분자량: 520.6 g/mol

이름 및 식별자

우선 이름: Methyl[(4-{4-[((2r)-2-hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl)amino]-1-piperidinyl}benzoyl)amino]acetate
IUPAC: methyl 2-[[4-[4-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]benzoyl]amino]acetate

이름 및 동의어

LBNNLJMJUUNTMH-QFIPXVFZSA-Nmethyl[(4-{4-[((2r)-2-hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl)amino]-1-piperidineyl}benzoyl)amino]acetatemethyl[(4-{4-[((2r)-2-hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl)amino]-1-piperidinyl}benzoyl)amino]acetate

데이터베이스 식별자

PubChem CID: 91418973

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 166 Å²
수소 결합 공여자 수: 5
수소 결합 수용자 수: 10
회전 가능 결합 수: 11
무거운 원자 수: 36
형식 전하: 0
복잡도: 821

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