Name: Promothiocin A
Rating: 5 (10 reviews)

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HIT ID:HIT212711274
Cas No:156737-05-2
常用名:Promothiocin A
别名:Antibiotic SF-2741A, Antibiotic SF2741A, Antibiotic SF 2741A
别名:Antibiotic SF-2741A, Antibiotic SF2741A, Antibiotic SF 2741A
IUPAC:2-{[(12S,19S,29S)-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-enamide
IUPAC:2-{[(12S,19S,29S)-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-enamide
InChI key:OUTWOIXDJMCBPB-YWTKSJFSSA-N

分子式:C36H37N11O8S2
分子量:815.88
氢键供体数 (HBD):6
氢键受体数 (HBA):11
LogP:0.7442299
SMILES:CC(C)[C@@H]1NC(=O)c2csc(n2)-c2ccc(nc2-c2nc(oc2C)[C@H](C)NC(=O)c2csc(n2)[C@H](C)NC(=O)c2nc(CNC1=O)oc2C)C(=O)NC(=C)C(N)=O
SMILES:CC(C)[C@@H]1NC(=O)c2csc(n2)-c2ccc(nc2-c2nc(oc2C)[C@H](C)NC(=O)c2csc(n2)[C@H](C)NC(=O)c2nc(CNC1=O)oc2C)C(=O)NC(=C)C(N)=O

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