S-3-(4-(4-(4-(4-(tert-butoxycarbonylamino)-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-imidazole-2-carboxamido)-1-methyl-1H-pyrrole-2-carboxamido)-N, 1-dimethyl-1H-pyrrole-2-carboxamido)propyl ethanethioate

HCID 59440243

기본 정보

표준 SMILES
CC(=O)SCCCN(C)C(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)c4cc(NC(=O)OC(C)(C)C)cn4C)cn3C)cn2C)cn1C
InChIKey
CKGTVZYCTVHPHW-UHFFFAOYSA-N
분자식
C34H44N10O7S
평균 분자량
736.8 g/mol
단동위원소 질량
736.31151495

이름 및 식별자

우선 이름
S-3-(4-(4-(4-(4-(tert-butoxycarbonylamino)-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-imidazole-2-carboxamido)-1-methyl-1H-pyrrole-2-carboxamido)-N, 1-dimethyl-1H-pyrrole-2-carboxamido)propyl ethanethioate
IUPAC
S-[3-[methyl-[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]propyl] ethanethioate

이름 및 동의어

SCHEMBL13224106CKGTVZYCTVHPHW-UHFFFAOYSA-NS-3-(4-(4-(4-(4-(tert-butoxycarbonylamino)-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-imidazole-2-carboxamido)-1-methyl-1H-pyrrole-2-carboxamido)-N, 1-dimethyl-1H-pyrrole-2-carboxamido)propyl ethanethioates-3-(4-(4-(4-(4-(tert-butoxycarbonylamino)-1-methyl-1h-pyrrole-2-carboxamido)-1-methyl-1h-imidazole-2-carboxamido)-1-methyl-1h-pyrrole-2-carboxamido)-n,1-dimethyl-1h-pyrrole-2-carboxamido)propyl ethanethioate

데이터베이스 식별자

PubChem CID
59440243

물성

구조 계산 물성

XLogP
1.2
극성 표면적
221 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
9
회전 가능 결합 수
15
무거운 원자 수
52

관련 반응

4건

연결된 노트

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