Chem
J-GLOBAL ID:200907083149835469
Nikkaji number:J948.264D
p2gag Peptide
p2gag ペプチド
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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:
C59 H102 N16 O23 S2
Molecular formula furigana:
C59-H102-N16-O23-S2
Molecular weight:
1467.670
InChI:
InChI=1S/C59H102N16O23S2/c1-13-25(4)42(55(93)68-35(59(97)98)19-21-100-12)72-58(96)45(31(10)79)73-48(86)28(7)64-56(94)43(29(8)77)74-52(90)36(22-39(62)81)69-57(95)44(30(9)78)75-54(92)41(24(2)3)71-51(89)32(14-16-38(61)80)67-53(91)37(23-76)70-50(88)34(18-20-99-11)66-47(85)27(6)63-49(87)33(15-17-40(82)83)65-46(84)26(5)60/h24-37,41-45,76-79H,13-23,60H2,1-12H3,(H2,61,80)(H2,62,81)(H,63,87)(H,64,94)(H,65,84)(H,66,85)(H,67,91)(H,68,93)(H,69,95)(H,70,88)(H,71,89)(H,72,96)(H,73,86)(H,74,90)(H,75,92)(H,82,83)(H,97,98)/t25-,26-,27-,28-,29+,30+,31+,32-,33-,34-,35-,36-,37-,41-,42-,43-,44-,45-/m0/s1
InChI key:
ADRBGWJNCUEULF-JTAAPEHLSA-N
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)O
Systematic name (3):
L-Ala-L-Glu-L-Ala-L-Met-L-Ser-L-Gln-L-Val-L-Thr-L-Asn-L-Thr-L-Ala-L-Thr-L-Ile-L-Met-OH
(4S)-4-[(2S)-2-アミノプロパンアミド]-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-3-カルバモイル-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-2-カルバモイル-1-{[(1S,2R)-1-{[(1S)-1-{[(1S,2R)-1-{[(1S,2S)-1-{[(1S)-1-カルボキシ-3-(メチルスルファニル)プロピル]カルバモイル}-2-メチルブチル]カルバモイル}-2-ヒドロキシプロピル]カルバモイル}エチル]カルバモイル}-2-ヒドロキシプロピル]カルバモイル}エチル]カルバモイル}-2-ヒドロキシプロピル]カルバモイル}-2-メチルプロピル]カルバモイル}プロピル]カルバモイル}-2-ヒドロキシエチル]カルバモイル}-3-(メチルスルファニル)プロピル]カルバモイル}エチル]カルバモイル}ブタン酸
(4S)-4-[(2S)-2-aminopropanamido]-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-2-carbamoyl-1-{[(1S,2R)-1-{[(1S)-1-{[(1S,2R)-1-{[(1S,2S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]carbamoyl}propyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}ethyl]carbamoyl}butanoic acid
Other name (2):
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