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기본 정보
- CAS
198904-07-3- 표준 SMILES
CCOC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2nccs2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)[C@@H](C)CC)C(C)C- InChIKey
RXJJAKDIALJUGM-WWMNZPEASA-N- 분자식
- C36H50N6O7S
- 평균 분자량
- 710.9 g/mol
- 단동위원소 질량
- 710.34616894
이름 및 식별자
- 우선 이름
- 2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-3-(1-methylethyl)-12-(1-methylpropyl)-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-thiazolyl)phenyl)methyl)-, 1-ethyl 14-methyl ester, (3S-(3R*,8R*,9R*,12R*(R*)))-
- IUPAC
- methyl N-[(2S,3S)-1-[[(2S,3S)-4-[[[(2S)-2-(ethoxycarbonylamino)-3-methylbutanoyl]amino]-[[4-(1,3-thiazol-2-yl)phenyl]methyl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
이름 및 동의어
198904-07-32,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-3-(1-methylethyl)-12-(1-methylpropyl)-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-thiazolyl)phenyl)methyl)-, 1-ethyl 14-methyl ester, (3S-(3R*,8R*,9R*,12R*(R*)))-1-(4-(Thiazol-2-yl)-phenyl)-4(S)-hydroxy-2-N-(N-ethoxycarbonyl-(L)-valy)amino)-5(S)-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-6-phenyl-2-azahexane1-[4-(Thiazol-2-yl)-phenyl]-4(S)-hydroxy-2-N-(N-ethoxycarbonyl-(L)-valy)amino]-5(S)-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-6-phenyl-2-azahexane2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-3-(1-methylethyl)-12-(1-methylpropyl)-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-thiazolyl)phenyl]methyl]-, 1-ethyl 14-methyl ester, [3S-[3R*,8R*,9R*,12R*(R*)]]-SCHEMBL6165DTXSID00173662RXJJAKDIALJUGM-WWMNZPEASA-N1-[4-(Thiazol-2-yl)-phenyl]-4(S)-hydroxy-2-N-(N-ethoxycarbonyl-(L)-valyl)amino-5(S)-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-6-phenyl-2-azahexaneEthyl [(5S,8S,9S,14S)-8-benzyl-5-[(2S)-butan-2-yl]-9-hydroxy-15-methyl-3,6,13-trioxo-11-{[4-(1,3-thiazol-2-yl)phenyl]methyl}-2-oxa-4,7,11,12-tetraazahexadecan-14-yl]carbamate
물성
구조 계산 물성보충 중
- XLogP
- 5.6
- 극성 표면적
- 199 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,060
관련 반응
4건
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