기본 정보
- CAS
165315-33-3- 표준 SMILES
CCN(Cc1csc(C2CCCC2)n1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C(C)C- InChIKey
FQUCVUSATYMWLJ-SNZVYYTPSA-N- 분자식
- C40H52N6O5S2
- 평균 분자량
- 761 g/mol
- 단동위원소 질량
- 760.34406113
이름 및 식별자
- 우선 이름
- 2,7,10,12-Tetraazatetradecanoic acid, 12-((2-cyclopentyl-4-thiazolyl)methyl)-4-hydroxy-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))-
- IUPAC
- 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-2-[[(2-cyclopentyl-1,3-thiazol-4-yl)methyl-ethylcarbamoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
이름 및 동의어
165315-33-32,7,10,12-Tetraazatetradecanoic acid, 12-((2-cyclopentyl-4-thiazolyl)methyl)-4-hydroxy-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))-2,7,10,12-Tetraazatetradecanoic acid, 12-[(2-cyclopentyl-4-thiazolyl)methyl]-4-hydroxy-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, [3S-(3R*,4R*,6R*,9R*)]-SCHEMBL7186633DTXSID80167928N~2~-{[(2-Cyclopentyl-1,3-thiazol-4-yl)methyl](ethyl)carbamoyl}-N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-({[(1,3-thiazol-5-yl)methoxy]carbonyl}amino)hexan-2-yl]-L-valinamidethiazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-4-[[(2S)-2-[[(2-cyclopentylthiazol-4-yl)methyl-ethyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-2-hydroxy-5-phenyl-pentyl]carbamate
데이터베이스 식별자
- CAS
165315-33-3- PubChem CID
- 482963
- DTXSID
DTXSID80167928
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 202 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,120
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