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기본 정보
- 표준 SMILES
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](CC(=O)N(CC(=O)N(C)C)[C@@H](C)c1ccccc1)Cc1csc(N)n1- InChIKey
OXJHMLABLLIRCI-MKLHLGAXSA-N- 분자식
- C34H53N5O5S
- 평균 분자량
- 643.9 g/mol
이름 및 식별자
- 우선 이름
- (2s)-2-[(2-Amino-1,3-Thiazol-4-Yl)methyl]-N~1~-[(1s,2r,3r)-1-(Cyclohexylmethyl)-2,3-Dihydroxy-5-Methylhexyl]-N~4~-[2-(Dimethylamino)-2-Oxoethyl]-N~4~-[(1s)-1-Phenylethyl]butanediamide
- IUPAC
- (2R)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-N'-[2-(dimethylamino)-2-oxoethyl]-N'-[(1S)-1-phenylethyl]butanediamide
이름 및 동의어
(2s)-2-[(2-Amino-1,3-Thiazol-4-Yl)methyl]-N~1~-[(1s,2r,3r)-1-(Cyclohexylmethyl)-2,3-Dihydroxy-5-Methylhexyl]-N~4~-[2-(Dimethylamino)-2-Oxoethyl]-N~4~-[(1s)-1-Phenylethyl]butanediamide1bilSCHEMBL7391114OXJHMLABLLIRCI-MKLHLGAXSA-NP2-P3 butanediamide renin inhibitor (1)Q27451109imethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide(2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-[(1S,2R,3R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-N~4~-[2-(d(2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-[(1S,2R,3R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-N~4~-[2-(d imethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide0IUN4 -[2-(Dimethylamino)-2-oxoethyl]-N4 -[1(S)-phenylethyl]-N1 -[1(S)-(cyclohexylmethyl)-2(R),3(S)-dihydroxy-5-methylhexyl]-2(R)-[(2-amino-4-thiazolyl)methyl]butanediamide
데이터베이스 식별자
- PubChem CID
- 6323285
물성
구조 계산 물성보충 중
- XLogP
- 4.7
- 극성 표면적
- 177 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 927
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