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中文名称：盐霉素A
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英文名称：siomycin A
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CAS No.：12656-09-6
英文别名
Mutabilycin, SporangioMycin, 6741-21, MutabillicinMutabilycinAlaninamide, N-[(7R,8S)-2-carboxy-7,8-dihydro-8-hydroxy-4-[(1S)-1-hydroxyethyl]-7-quinolinyl]-L-valyl-2,3-didehydroalanyl-2,3-didehydroalanyl-L-alanyl-2-[(4aR,11S,14Z,18S,21S,28S,32aS)-4a-amino-21-[(1S,2R)-1,2-dihydroxy-1-methylpropyl]-14-ethylidene-3,4,4a,9,10,11,12,13,14,18,19,20,21,27,28,32a-hexa...MutabillicinAKFVOKPQHFBYCA-OFENGFFDSA-NAntibiotic 6741-21
CAS
12656-09-6
Inchi
InChI=1S/C71H81N19O18S5/c1-14-37-64-83-44(22-109-64)61(103)89-52(70(13,107)34(12)93)67-85-43(23-112-67)59(101)88-48-33(11)108-68(106)40-19-36(31(9)91)35-15-16-38(50(94)49(35)79-40)78-46(25(2)3)62(104)77-29(7)56(98)74-27(5)55(97)75-30(8)57(99)90-71(69-86-45(24-113-69)60(102)87-47(32(10)92)63(105)81-37)18-17-39(80-51(71)41-20-111-66(48)82-41)65-84-42(21-110-65)58(100)76-28(6)54(96)73-26(4)53(72)95/h14-16,19-21,23-25,30-34,38,44,46-48,50-52,78,91-94,107H,4-7,17-18,22H2,1-3,8-13H3,(H2,72,95)(H,73,96)(H,74,98)(H,75,97)(H,76,100)(H,77,104)(H,81,105)(H,87,102)(H,88,101)(H,89,103)(H,90,99)/b37-14-/t30-,31-,32+,33+,34+,38+,44+,46-,47-,48-,50-,51+,52+,70+,71+/m0/s1
InChIkey
AKFVOKPQHFBYCA-KJULAZMPSA-N
Canonical Smiles
C/C=C\1/C2=N[C@H](CS2)C(=O)N[C@H](C3=NC(=CS3)C(=O)N[C@H]4[C@H](OC(=O)C5=NC6=C(C=C[C@H]([C@@H]6O)N[C@H](C(=O)NC(=C)C(=O)NC(=C)C(=O)N[C@H](C(=O)N[C@@]7(CCC(=N[C@@H]7C8=CSC4=N8)C9=NC(=CS9)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C2=NC(=CS2)C(=O)N[C@H](C(=O)N1)[C@@H](C)O)C)C(C)C)C(=C5)[C@H](C)O)C)[C@@](C)([C@@H](C)O)O
国际化联命名
N-[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]-2-[(1R,8S,11Z,15S,18S,25S,26R,35R,37S,46S,53S,59S)-18-[(2S,3R)-2,3-dihydroxybutan-2-yl]-11-ethylidene-59-hydroxy-8-[(1R)-1-hydroxyethyl]-31-[(1S)-1-hydroxyethyl]-26,46-dimethyl-40,43-dimethylidene-6,9,16,23,28,38,41,44,47-nonaoxo-37-propan-2-yl-27-oxa-3,13,20,56-tetrathia-7,10,17,24,36,39,42,45,48,52,58,61,62,63,64-pentadecazanonacyclo[23.23.9.329,35.12,5.112,15.119,22.154,57.01,53.032,60]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazole-4-carboxamide
密度：1.65±0.1 g/cm3(Predicted)
折射率：1.773
PSA：701.00000
logP：3.82150
酸度系数（pka）：10.43±0.46(Predicted)
溶解性：DMSO: complete10 mg/ml, clear, colorless to faintly yellow
存储温度：?20°C
