Name: Promothiocin B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219599935
Cas No:156737-06-3
常用名:Promothiocin B
IUPAC:N-(1-carbamoyleth-1-en-1-yl)-2-(2-{[9,12,19,23-tetramethyl-14,21,28,31-tetraoxo-29-(propan-2-yl)-10,24-dioxa-17,34-dithia-6,13,20,27,30,35,36,37,38-nonaazahexacyclo[30.2.1.1^{8,11}.1^{15,18}.1^{22,25}.0^{2,7}]octatriaconta-1(35),2(7),3,5,8,11(38),15,18(37),22,25(36),32-undecaen-5-yl]formamido}prop-2-enamido)prop-2-enamide
IUPAC:N-(1-carbamoyleth-1-en-1-yl)-2-(2-{[9,12,19,23-tetramethyl-14,21,28,31-tetraoxo-29-(propan-2-yl)-10,24-dioxa-17,34-dithia-6,13,20,27,30,35,36,37,38-nonaazahexacyclo[30.2.1.1^{8,11}.1^{15,18}.1^{22,25}.0^{2,7}]octatriaconta-1(35),2(7),3,5,8,11(38),15,18(37),22,25(36),32-undecaen-5-yl]formamido}prop-2-enamido)prop-2-enamide
InChI key:GQPGNOKIVRVCQB-UHFFFAOYSA-N

分子式:C42H43N13O10S2
分子量:954.01
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C1NC(=O)c2csc(n2)-c2ccc(nc2-c2nc(oc2C)C(C)NC(=O)c2csc(n2)C(C)NC(=O)c2nc(CNC1=O)oc2C)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(=C)C(N)=O
SMILES:CC(C)C1NC(=O)c2csc(n2)-c2ccc(nc2-c2nc(oc2C)C(C)NC(=O)c2csc(n2)C(C)NC(=O)c2nc(CNC1=O)oc2C)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(=C)C(N)=O

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