Chem
J-GLOBAL ID:200907028323383024
Nikkaji number:J348.501C
Cilofungin
シロフンギン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C49 H71 N7 O17
Molecular formula furigana:
C49-H71-N7-O17
Molecular weight:
1030.138
InChI:
InChI=1S/C49H71N7O17/c1-5-6-7-8-9-10-19-73-31-17-13-28(14-18-31)42(65)50-32-21-34(61)45(68)54-47(70)38-39(62)24(2)22-56(38)49(72)36(26(4)58)52-46(69)37(41(64)40(63)27-11-15-29(59)16-12-27)53-44(67)33-20-30(60)23-55(33)48(71)35(25(3)57)51-43(32)66/h11-18,24-26,30,32-41,45,57-64,68H,5-10,19-23H2,1-4H3,(H,50,65)(H,51,66)(H,52,69)(H,53,67)(H,54,70)/t24-,25+,26+,30+,32-,33-,34+,35-,36-,37-,38-,39-,40-,41-,45+/m0/s1
InChI key:
ZKZKCEAHVFVZDJ-MTUMARHDSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)c1ccc(O)cc1)[C@@H](C)O
Systematic name (5):
シクロ[L-t4Hyp-[(3S,4S)-3,4-ジヒドロキシ-4-(4-ヒドロキシフェニル)-L-Abu-]-L-Thr-[(3S,4S)-3-ヒドロキシ-4-メチル-L-Pro-]-[(4R,5R)-4,5-ジヒドロキシ-N2 -[4-(オクチルオキシ)ベンゾイル]-L-Orn*-]-L-Thr-]
シクロ[L-Thr-[(3S,4S)-3-ヒドロキシ-4-メチル-L-Pro-]-[(4R,5R)-4,5-ジヒドロキシ-N2 -[4-(オクチルオキシ)ベンゾイル]-L-Orn*-]-L-Thr-L-t4Hyp-[(3S,4S)-3,4-ジヒドロキシ-4-(4-ヒドロキシフェニル)-L-Abu-]]
(4R,5R)-N2 -[4-(オクチルオキシ)ベンゾイル]-4,5-ジヒドロキシシクロ[L-Orn*-L-Thr-L-t4Hyp-[(3S,4S)-3,4-ジヒドロキシ-4-(4-ヒドロキシフェニル)-L-Abu-]-L-Thr-[(3S,4S)-3-ヒドロキシ-4-メチル-L-Pro-]]
N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-ジヒドロキシ-2-(4-ヒドロキシフェニル)エチル]-11,20,21,25-テトラヒドロキシ-3,15-ビス[(1R)-1-ヒドロキシエチル]-26-メチル-2,5,8,14,17,23-ヘキサオキソ-1,4,7,13,16,22-ヘキサアザトリシクロ[22.3.0.09,13 ]ヘプタコサン-18-イル]-4-(オクチルオキシ)ベンズアミド
N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.09,13 ]heptacosan-18-yl]-4-(octyloxy)benzamide
Other name (9):
LY-121019
シロフンギン
Cilofungin
Antibiotic LY-121019
抗生物質LY-121019
(4R,5R)-N2 -[4-(Octyloxy)benzoyl]-4,5-dihydroxycyclo[L-Orn*-L-Thr-L-t4Hyp-[(3S,4S)-3,4-dihydroxy-4-(4-hydroxyphenyl)-L-Abu-]-L-Thr-[(3S,4S)-3-hydroxy-4-methyl-L-Pro-]]
Cyclo[L-Thr-[(3S,4S)-3-hydroxy-4-methyl-L-Pro-]-[(4R,5R)-4,5-dihydroxy-N2 -[4-(octyloxy)benzoyl]-L-Orn*-]-L-Thr-L-t4Hyp-[(3S,4S)-3,4-dihydroxy-4-(4-hydroxyphenyl)-L-Abu-]]
Cyclo[L-t4Hyp-[(3S,4S)-3,4-dihydroxy-4-(4-hydroxyphenyl)-L-Abu-]-L-Thr-[(3S,4S)-3-hydroxy-4-methyl-L-Pro-]-[(4R,5R)-4,5-dihydroxy-N2 -[4-(octyloxy)benzoyl]-L-Orn*-]-L-Thr-]
L-646991
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CAS registry number:
79404-91-4
Application (2):
peptide antibiotics
, antifungal drug
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