1-{[1-(2-tert-Butoxycarbonylamino-3,3-dimethylbutyryl)-4-hydroxypyrrolidine-2-carbonyl]-amino}-2-ethyl-cyclopropanecarboxylic acid

HCID 68616376

기본 정보

표준 SMILES
CCC1CC1(NC(=O)C1CC(O)CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)O
InChIKey
JQKJXUQGOZFPCY-UHFFFAOYSA-N
분자식
C22H37N3O7
평균 분자량
455.5 g/mol
단동위원소 질량
455.26315053

이름 및 식별자

우선 이름
1-{[1-(2-tert-Butoxycarbonylamino-3,3-dimethylbutyryl)-4-hydroxypyrrolidine-2-carbonyl]-amino}-2-ethyl-cyclopropanecarboxylic acid
IUPAC
1-[[1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid

이름 및 동의어

SCHEMBL3370398JQKJXUQGOZFPCY-UHFFFAOYSA-N1-{[1-(2-tert-butoxycarbonylamino-3,3-dimethyl-butyryl)-4-hydroxy-pyrrolidine-2-carbonyl]-amino}-2-ethyl-cyclopropanecarboxylic acid1-{[1-(2-tert-Butoxycarbonylamino-3,3-dimethylbutyryl)-4-hydroxypyrrolidine-2-carbonyl]-amino}-2-ethyl-cyclopropanecarboxylic acid

데이터베이스 식별자

PubChem CID
68616376

물성

구조 계산 물성

XLogP
1.8
극성 표면적
145 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
7
회전 가능 결합 수
9
무거운 원자 수
32

관련 반응

6건

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