Name: Ferrimycin A1
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT219600220
Cas No:15319-50-3
常用名:Ferrimycin A1
IUPAC:3-{5-[(3-{[4-amino-3-hydroxy-3-(hydroxymethyl)-5-(methoxymethanimidoyl)-2-methyl-6-oxopiperidin-2-yl]amino}-5-hydroxyphenyl)formamido]pentyl}-26-methyl-7,18-dioxo-2lambda3-oxa-27lambda3,28lambda3-dioxa-29lambda3,30lambda3-dioxa-31lambda3-oxa-3,8,14,19,25-pentaaza-1-ferrapentacyclo[13.12.1.1^{1,4}.1^{1,14}.1^{1,25}]hentriaconta-4(31),15(28),26-triene-1,1,1-tris(ylium)-2,29,30-triide
IUPAC:3-{5-[(3-{[4-amino-3-hydroxy-3-(hydroxymethyl)-5-(methoxymethanimidoyl)-2-methyl-6-oxopiperidin-2-yl]amino}-5-hydroxyphenyl)formamido]pentyl}-26-methyl-7,18-dioxo-2lambda3-oxa-27lambda3,28lambda3-dioxa-29lambda3,30lambda3-dioxa-31lambda3-oxa-3,8,14,19,25-pentaaza-1-ferrapentacyclo[13.12.1.1^{1,4}.1^{1,14}.1^{1,25}]hentriaconta-4(31),15(28),26-triene-1,1,1-tris(ylium)-2,29,30-triide
InChI key:NQVNPJGERCVAPV-UVPSRWLRSA-N

分子式:C41H65FeN10O14
分子量:977.872
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[O]1=C(N2CCCCCNC(=O)CCC3=[O][Fe+3]114([O]=C(N(CCCCCNC(c5cc(O)cc(NC6(C(C(C(C(=N)OC)C(=O)N6)N)(O)CO)C)c5)=O)[O-]1)CCC(=O)NCCCCCN3[O-]4)[O-]2)C
SMILES:[O]1=C(N2CCCCCNC(=O)CCC3=[O][Fe+3]114([O]=C(N(CCCCCNC(c5cc(O)cc(NC6(C(C(C(C(=N)OC)C(=O)N6)N)(O)CO)C)c5)=O)[O-]1)CCC(=O)NCCCCCN3[O-]4)[O-]2)C

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