(R)-tert-Butyl 4-(2-(4-(benzo[d]thiazole-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethoxy)benzyl(2-hydroxy-2-(4-hydroxy-2-oxo-2,3-dihydrobenzo[d]thiazol-7-yl)ethyl)carbamate

HCID 57989166

기본 정보

표준 SMILES
CC(C)(C)OC(=O)N(Cc1ccc(OCCN2CCC3(CC2)CN(C(=O)c2nc4ccccc4s2)CCO3)cc1)C[C@H](O)c1ccc(O)c2[nH]c(=O)sc12
InChIKey
LDIYSJYGELLVFW-PMERELPUSA-N
분자식
C39H45N5O8S2
평균 분자량
775.9 g/mol
단동위원소 질량
775.27095576

이름 및 식별자

우선 이름
(R)-tert-Butyl 4-(2-(4-(benzo[d]thiazole-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethoxy)benzyl(2-hydroxy-2-(4-hydroxy-2-oxo-2,3-dihydrobenzo[d]thiazol-7-yl)ethyl)carbamate
IUPAC
tert-butyl N-[[4-[2-[4-(1,3-benzothiazole-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethoxy]phenyl]methyl]-N-[(2R)-2-hydroxy-2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]carbamate

이름 및 동의어

SCHEMBL2142994LDIYSJYGELLVFW-PMERELPUSA-N(R)-tert-Butyl 4-(2-(4-(benzo[d]thiazole-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethoxy)benzyl(2-hydroxy-2-(4-hydroxy-2-oxo-2,3-dihydrobenzo[d]thiazol-7-yl)ethyl)carbamate

데이터베이스 식별자

PubChem CID
57989166

물성

구조 계산 물성

XLogP
4.8
극성 표면적
208 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
12
회전 가능 결합 수
12
무거운 원자 수
54

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