(2S)-N-[2-[(2S)-2-[4-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-acetamido-6-(pent-4-ynoylamino)hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]triazole-1-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]-1-[2-[[7-[[2-[(2S)-2-[[2-[(2S)-2-[4-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-acetamido-6-(pent-4-ynoylamino)hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]triazole-1-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-[[2-[[2-[(2S)-2-[[2-[(2S)-2-[4-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-acetamido-6-(pent-4-ynoylamino)hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]triazole-1-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]acetyl]amino]-4-[(3-amino-3-oxopropyl)carbamoyl]heptyl]amino]acetyl]pyrrolidine-2-carboxamide

分子结构分类

有机化合物 - 有机酸及其衍生物 - 肽模拟物

中文名称

——

中文别名

——

英文名称

(2S)-N-[2-[(2S)-2-[4-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-acetamido-6-(pent-4-ynoylamino)hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]triazole-1-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]-1-[2-[[7-[[2-[(2S)-2-[[2-[(2S)-2-[4-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-acetamido-6-(pent-4-ynoylamino)hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]triazole-1-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-[[2-[[2-[(2S)-2-[[2-[(2S)-2-[4-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-acetamido-6-(pent-4-ynoylamino)hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]triazole-1-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]acetyl]amino]-4-[(3-amino-3-oxopropyl)carbamoyl]heptyl]amino]acetyl]pyrrolidine-2-carboxamide

英文别名

——

(2S)-N-[2-[(2S)-2-[4-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-acetamido-6-(pent-4-ynoylamino)hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]triazole-1-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]-1-[2-[[7-[[2-[(2S)-2-[[2-[(2S)-2-[4-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-acetamido-6-(pent-4-ynoylamino)hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]triazole-1-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-[[2-[[2-[(2S)-2-[[2-[(2S)-2-[4-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-acetamido-6-(pent-4-ynoylamino)hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]triazole-1-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]acetyl]amino]-4-[(3-amino-3-oxopropyl)carbamoyl]heptyl]amino]acetyl]pyrrolidine-2-carboxamide化学式

CAS

——

化学式

C₁₉₆H₂₅₉N₆₃O₃₆

mdl

——

分子量

4074.0

InChiKey

JSGALAXOAFSLID-HDQCZNIJSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

-3.8
重原子数：

295
可旋转键数：

117
环数：

21.0
sp3杂化的碳原子比例：

0.48
拓扑面积：

1430
氢给体数：

42
氢受体数：

51

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