(2S,3S)-2-[[[(2S)-1-[(2S)-4-carboxy-2-[[hydroxy-[(1R,7S,10S,13S,16R,19S,22S,25S,28S,31S,34S,37S,40S,43R,46S,49S,52S,55S,58R,65S,68S,71R,78S,81R)-28,40,55-tris(4-aminobutyl)-71-[[(2S)-2-[[(2S)-2-amino-1-hydroxy-3-methylbutylidene]amino]-1,3-dihydroxypropylidene]amino]-34-(3-carbamimidamidopropyl)-68-(2-carboxyethyl)-10,46,52,65-tetrakis(carboxymethyl)-8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,64,67,70,76,79-docosahydroxy-22-[(1R)-1-hydroxyethyl]-49-(2-hydroxy-2-iminoethyl)-25-(3-hydroxy-3-iminopropyl)-19-(hydroxymethyl)-13-(1H-imidazol-5-ylmethyl)-31,37-dimethyl-2-oxo-78-propan-2-yl-60,61,73,74,83,84-hexathia-3,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,63,66,69,77,80-tricosazatetracyclo[41.19.13.1016,58.03,7]pentaoctaconta-8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,63,66,69,76,79-docosaen-81-yl]methylidene]amino]butanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-3-methylpentanoic acid

分子结构分类

有机化合物 - 有机聚合物 - 多肽

中文名称

——

中文别名

——

英文名称

(2S,3S)-2-[[[(2S)-1-[(2S)-4-carboxy-2-[[hydroxy-[(1R,7S,10S,13S,16R,19S,22S,25S,28S,31S,34S,37S,40S,43R,46S,49S,52S,55S,58R,65S,68S,71R,78S,81R)-28,40,55-tris(4-aminobutyl)-71-[[(2S)-2-[[(2S)-2-amino-1-hydroxy-3-methylbutylidene]amino]-1,3-dihydroxypropylidene]amino]-34-(3-carbamimidamidopropyl)-68-(2-carboxyethyl)-10,46,52,65-tetrakis(carboxymethyl)-8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,64,67,70,76,79-docosahydroxy-22-[(1R)-1-hydroxyethyl]-49-(2-hydroxy-2-iminoethyl)-25-(3-hydroxy-3-iminopropyl)-19-(hydroxymethyl)-13-(1H-imidazol-5-ylmethyl)-31,37-dimethyl-2-oxo-78-propan-2-yl-60,61,73,74,83,84-hexathia-3,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,63,66,69,77,80-tricosazatetracyclo[41.19.13.1016,58.03,7]pentaoctaconta-8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,63,66,69,76,79-docosaen-81-yl]methylidene]amino]butanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-3-methylpentanoic acid

英文别名

——

(2S,3S)-2-[[[(2S)-1-[(2S)-4-carboxy-2-[[hydroxy-[(1R,7S,10S,13S,16R,19S,22S,25S,28S,31S,34S,37S,40S,43R,46S,49S,52S,55S,58R,65S,68S,71R,78S,81R)-28,40,55-tris(4-aminobutyl)-71-[[(2S)-2-[[(2S)-2-amino-1-hydroxy-3-methylbutylidene]amino]-1,3-dihydroxypropylidene]amino]-34-(3-carbamimidamidopropyl)-68-(2-carboxyethyl)-10,46,52,65-tetrakis(carboxymethyl)-8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,64,67,70,76,79-docosahydroxy-22-[(1R)-1-hydroxyethyl]-49-(2-hydroxy-2-iminoethyl)-25-(3-hydroxy-3-iminopropyl)-19-(hydroxymethyl)-13-(1H-imidazol-5-ylmethyl)-31,37-dimethyl-2-oxo-78-propan-2-yl-60,61,73,74,83,84-hexathia-3,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,63,66,69,77,80-tricosazatetracyclo[41.19.13.1016,58.03,7]pentaoctaconta-8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,63,66,69,76,79-docosaen-81-yl]methylidene]amino]butanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-3-methylpentanoic acid化学式

CAS

——

化学式

C₁₂₅H₁₉₉N₃₉O₄₇S₆

mdl

——

分子量

3192.6

InChiKey

NDCNPIYRYDSDEM-TZZHORBYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

-23.9
重原子数：

217
可旋转键数：

55
环数：

7.0
sp3杂化的碳原子比例：

0.67
拓扑面积：

1550
氢给体数：

46
氢受体数：

59

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