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Huagongshe 오픈 프로젝트:[email protected]AI 접속: llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.7.8
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2-[18-(2,3-Dihydroxybutan-2-yl)-11-ethylidene-59-hydroxy-8,31-bis(1-hydroxyethyl)-26,40,46-trimethyl-43-methylidene-6,9,16,28,38,41,44,47-octaoxo-37-propan-2-yl-23-sulfanylidene-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,54,57-undecaen-51-yl]-1,3-thiazole-4-carboxamide

HCID 178585172
노트반응
기본 정보이름 및 식별자물성관련 반응화합물 노트
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기본 정보

CAS
70591-38-7
표준 SMILES
C=C1NC(=O)C(C)NC(=O)C(C(C)C)NC2C=Cc3c(C(C)O)cc(nc3C2O)C(=O)OC(C)C2NC(=S)c3csc(n3)C(C(C)(O)C(C)O)NC(=O)C3CSC(=N3)C(=CC)NC(=O)C(C(C)O)NC(=O)c3csc(n3)C3(CCC(c4nc(C(N)=O)cs4)NC3c3csc2n3)NC(=O)C(C)NC1=O
InChIKey
SRTDKHGZQCTGBY-UHFFFAOYSA-N
분자식
C65H79N17O15S6
평균 분자량
1,530.8 g/mol
단동위원소 질량
1,529.4265819

이름 및 식별자

우선 이름
2-[18-(2,3-Dihydroxybutan-2-yl)-11-ethylidene-59-hydroxy-8,31-bis(1-hydroxyethyl)-26,40,46-trimethyl-43-methylidene-6,9,16,28,38,41,44,47-octaoxo-37-propan-2-yl-23-sulfanylidene-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,54,57-undecaen-51-yl]-1,3-thiazole-4-carboxamide
이 페이지에서기본 정보이름 및 식별자물성관련 반응화합물 노트
IUPAC
2-[18-(2,3-dihydroxybutan-2-yl)-11-ethylidene-59-hydroxy-8,31-bis(1-hydroxyethyl)-26,40,46-trimethyl-43-methylidene-6,9,16,28,38,41,44,47-octaoxo-37-propan-2-yl-23-sulfanylidene-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,54,57-undecaen-51-yl]-1,3-thiazole-4-carboxamide
영어명
(5S)-26'-Deoxo-1',2',5,28-tetrahydro-26'-thioxo-18-de[2-[(1-carbamoylethenyl)amino]-1-methylene-2-oxoethyl]siomycin A
분자식
C65H79N17O15S6
분자량
1530.81

이름 및 동의어

Thiopeptin A3a(5S)-26'-Deoxo-1',2',5,28-tetrahydro-26'-thioxo-18-de[2-[(1-carbamoylethenyl)amino]-1-methylene-2-oxoethyl]siomycin A4-Thiazolecarboxamide, 2-[21-(1,2-dihydroxy-1-methylpropyl)-14-ethylidene-1,3,4,9,10,11,12,13,14,18,19,20,21,27,28,32a,39,40-octadecahydro-39-hydroxy-11,43-bis(1-hydroxyethyl)-34,49-dimethyl-52-methylene-46-(1-methylethyl)-9,12,19,36,47,50,53,56-octaoxo-26-thioxo-17H,26H-4a,28-(iminoethaniminoethani...

데이터베이스 식별자

CAS
70591-38-7
PubChem CID
162969241

물성

구조 계산 물성

XLogP
0.6
극성 표면적
657 Ų
수소 결합 공여자 수
16
수소 결합 수용자 수
29
회전 가능 결합 수
7
무거운 원자 수
103
형식 전하
0
복잡도
3,370

물리화학적 성질

밀도
1.68 · 1.68±0.1 g/cm3(Predicted)
산도 계수 (pKa)
8.89 · 8.89±0.70(Predicted)

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