기본 정보
- CAS
208840-22-6- 표준 SMILES
Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)C(C)C)o2)c1- InChIKey
FPGAGACTKJTPFT-MYKRZTLLSA-N- 분자식
- C33H41N5O6
- 평균 분자량
- 603.7 g/mol
- 단동위원소 질량
- 603.30568404
이름 및 식별자
- 우선 이름
- L-Prolinamide, N-((phenylmethoxy)carbonyl)-L-valyl-N-((1S)-2-methyl-1-((5-((3-methylphenyl)methyl)-1,3,4-oxadiazol-2-yl)carbonyl)propyl)-
- IUPAC
- benzyl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
- 영어명
- CE-2072
- 분자식
- C33H41N5O6
- 분자량
- 603.72
이름 및 동의어
CE-2072208840-22-6UNII-X4EDB9177RX4EDB9177RCHEMBL285231benzyl N-[(2S)-3-methyl-1-[(2S)-2-[[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamateL-Prolinamide, N-((phenylmethoxy)carbonyl)-L-valyl-N-((1S)-2-methyl-1-((5-((3-methylphenyl)methyl)-1,3,4-oxadiazol-2-yl)carbonyl)propyl)-orb1702443SCHEMBL7004717SCHEMBL31628587BDBM50095523AKOS040746679
이름 더 보기
CE2072CE 2072
benzyl ((S)-3-methyl-1-((S)-2-(((S)-3-methyl-1-(5-(3-methylbenzyl)-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxobutan-2-yl)carbamateCS-0067064T25218Q27293550[(S)-2-methyl-1-((S)-2-{(S)-2-methyl-1-[5-(3-methyl-benzyl)-[1,3,4]oxadiazole-2-carbonyl]-propylcarbamoyl}-pyrrolidine-1-carbonyl)-propyl]-carbamic acid benzyl ester[2-Methyl-1-(2-{2-methyl-1-[5-(3-methyl-benzyl)-[1,3,4]oxadiazole-2-carbonyl]-propylcarbamoyl}-pyrrolidine-1-carbonyl)-propyl]-carbamic acid benzyl ester
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 144 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 986
화학 및 산업
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