기본 정보
- 표준 SMILES
CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NCC(C)(C)C(N)=O- InChIKey
RBIIKVXVYVANCQ-CUWPLCDZSA-N- 분자식
- C26H42ClN5O4
- 평균 분자량
- 524.1 g/mol
이름 및 식별자
- 우선 이름
- (2s,4s,5s)-5-Amino-N-(3-Amino-2,2-Dimethyl-3-Oxopropyl)-6-[4-(2-Chlorophenyl)-2,2-Dimethyl-5-Oxopiperazin-1-Yl]-4-Hydroxy-2-(Propan-2-Yl)hexanamide
- IUPAC
- (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-propan-2-ylhexanamide
이름 및 동의어
(2s,4s,5s)-5-Amino-N-(3-Amino-2,2-Dimethyl-3-Oxopropyl)-6-[4-(2-Chlorophenyl)-2,2-Dimethyl-5-Oxopiperazin-1-Yl]-4-Hydroxy-2-(Propan-2-Yl)hexanamideCHEMBL2048571SCHEMBL290883CHEMBL2079493RBIIKVXVYVANCQ-CUWPLCDZSA-NBDBM50387268Q27464833(2S,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-isopropylhexanoic acid (2-carbamoyl-2-methylpropyl)amide(2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-(propan-2-yl)hexanamide (non-preferred name)R32
데이터베이스 식별자
- PubChem CID
- 57519702
- ChEMBL
CHEMBL2048571、CHEMBL2079493
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 142 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 790
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