methyl N-[(2S)-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-oxobutan-2-yl]carbamate

HCID 467964

기본 정보

CAS
198904-04-0
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(C)C)C(C)C
InChIKey
CDLBDKFGLPOPNN-KRCBVYEFSA-N
분자식
C35H48N6O7S
평균 분자량
696.9 g/mol
단동위원소 질량
696.33051888

이름 및 식별자

우선 이름
methyl N-[(2S)-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-oxobutan-2-yl]carbamate
IUPAC
methyl N-[(2S)-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-oxobutan-2-yl]carbamate
영어명
1-[4-(Thiazol-2-yl)-phenyl]-4(S)-hydroxy-2-N-(N-ethoxycarbonyl-(L)-val yl)amino]-5(S)-N-(N-methoxycarbonyl-(L)-valyl)amino-6-phenyl-2-azahexa ne
분자식
C35H48N6O7S
분자량
696.86

이름 및 동의어

198904-04-01-(4-(Thiazol-2-yl)-phenyl)-4(S)-hydroxy-2-N-(N-ethoxycarbonyl-(L)-valyl)amino)-5(S)-N-(N-methoxycarbonyl-(L)-valyl)amino-6-phenyl-2-azahexane2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-3,12-bis(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-thiazolyl)phenyl)methyl)-, 1-ethyl 14-methyl ester, (3S-(3R*,8R*,9R*,12R*))-methyl N-[(2S)-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-oxobutan-2-yl]carbamateCDLBDKFGLPOPNN-KRCBVYEFSA-N1-[4-(Thiazol-2-yl)-phenyl]-4(S)-hydroxy-2-N-(N-ethoxycarbonyl-(L)-valyl)amino]-5(S)-N-(N-methoxycarbonyl-(L)-valyl)amino-6-phenyl-2-azahexane2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-3,12-bis(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-thiazolyl)phenyl]methyl]-, 1-ethyl 14-methyl ester, [3S-(3R*,8R*,9R*,12R*)]-SCHEMBL7628DTXSID20941749(2S)-N-[(2S,3S)-4-(2-[(2S)-2-{[Ethoxy(hydroxy)methylidene]amino}-1-hydroxy-3-methylbutylidene]-1-{[4-(1,3-thiazol-2-yl)phenyl]methyl}hydrazin-1-yl)-3-hydroxy-1-phenylbutan-2-yl]-2-{[hydroxy(methoxy)methylidene]amino}-3-methylbutanimidic acid1-[4-(Thiazol-2-yl)-phenyl]-4(S)-hydroxy-2-N-(N-ethoxycarbonyl-(L)-valyl)amino-5(S)-N-(N-methoxycarbonyl-(L)-valyl)amino-6-phenyl-2-azahexane1-[4-(Thiazol-2-yl)-phenyl]4 (S)-hydroxy-2-N-(N-ethoxycarbonyl-(L)-valyl)amino-5(S)-N-(N-methoxycarbonyl-(L)-valyl)amino-6-phenyl-2-azahexane
이름 더 보기
1-[4-(Thiazol-2-yl)-phenyl]-4(S)-hydroxy-2-N-(N-ethoxycarbonyl-(L)-val yl)amino]-5(S)-N-(N-methoxycarbonyl-(L)-valyl)amino-6-phenyl-2-azahexa ne2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-3,12-bis(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-thiazolyl)phenyl]methyl]-, 1-ethyl 14-methyl ester, (3S,8S,9S,12S)-
N-{4-[2-(2-{[Ethoxy(hydroxy)methylidene]amino}-1-hydroxy-3-methylbutylidene)-1-{[4-(1,3-thiazol-2-yl)phenyl]methyl}hydrazinyl]-3-hydroxy-1-phenylbutan-2-yl}-2-{[hydroxy(methoxy)methylidene]amino}-3-methylbutanimidic acid

데이터베이스 식별자

CAS
198904-04-0
PubChem CID
467964
DTXSID
DTXSID20941749

물성

구조 계산 물성

XLogP
5.3
극성 표면적
199 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
10
회전 가능 결합 수
19
무거운 원자 수
49

화학 및 산업

공급사1 곳

HONEST JOY HOLDINGS LIMITED[email protected]

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