(2S,3S)-2-[4-[(1R)-1-amino-2-hydroxyethyl]triazol-1-yl]-1-[4-[4-[4-[(2S,3S)-2-[4-[(1R)-1-amino-2-hydroxyethyl]triazol-1-yl]-3-methylpentanoyl]piperazin-1-yl]-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-3-methylpentan-1-one;hydrochloride

HCID 16745346

기본 정보

표준 SMILES
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)[C@H]([C@@H](C)CC)n3cc([C@@H](N)CO)nn3)CC2)nc(N2CCN(C(=O)[C@H]([C@@H](C)CC)n3cc([C@@H](N)CO)nn3)CC2)n1.Cl
InChIKey
ACOGNPJCAUNYKJ-ORFYIMQMSA-N
분자식
C40H67ClN16O7
평균 분자량
919.5 g/mol
단동위원소 질량
918.5067162

이름 및 식별자

우선 이름
(2S,3S)-2-[4-[(1R)-1-amino-2-hydroxyethyl]triazol-1-yl]-1-[4-[4-[4-[(2S,3S)-2-[4-[(1R)-1-amino-2-hydroxyethyl]triazol-1-yl]-3-methylpentanoyl]piperazin-1-yl]-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-3-methylpentan-1-one;hydrochloride
IUPAC
(2S,3S)-2-[4-[(1R)-1-amino-2-hydroxyethyl]triazol-1-yl]-1-[4-[4-[4-[(2S,3S)-2-[4-[(1R)-1-amino-2-hydroxyethyl]triazol-1-yl]-3-methylpentanoyl]piperazin-1-yl]-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]-1,3,5-triazin-2-yl]piperazin-1-yl]-3-methylpentan-1-one;hydrochloride

이름 및 동의어

SI-SIMLS000562615CHEMBL1353655SCHEMBL29349431ACOGNPJCAUNYKJ-ORFYIMQMSA-NSMR000391127

데이터베이스 식별자

PubChem CID
16745346
ChEMBL
CHEMBL1353655

물성

구조 계산 물성

극성 표면적
279 Ų
수소 결합 공여자 수
6
수소 결합 수용자 수
19
회전 가능 결합 수
25
무거운 원자 수
64

관련 반응

3건

연결된 노트

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