Chem
J-GLOBAL ID：200907038740975134
Nikkaji number：J2.644.493D
L-Asn-L-Tyr-L-Lys-L-Asp-L-Ser-L-Cys-L-Ile-Gly-OH
L-Asn-L-Tyr-L-Lys-L-Asp-L-Ser-L-Cys-L-Ile-Gly-OH
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
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
Molecular formula： C37H58N10O14S
Molecular formula furigana： C37-H58-N10-O14-S
Molecular weight： 898.990
InChI：
InChI=1S/C37H58N10O14S/c1-3-18(2)30(37(61)41-15-29(53)54)47-36(60)26(17-62)46-35(59)25(16-48)45-34(58)24(14-28(51)52)44-32(56)22(6-4-5-11-38)42-33(57)23(12-19-7-9-20(49)10-8-19)43-31(55)21(39)13-27(40)50/h7-10,18,21-26,30,48-49,62H,3-6,11-17,38-39H2,1-2H3,(H2,40,50)(H,41,61)(H,42,57)(H,43,55)(H,44,56)(H,45,58)(H,46,59)(H,47,60)(H,51,52)(H,53,54)/t18-,21-,22-,23-,24-,25-,26-,30-/m0/s1
InChI key：
YYPAPEXFLYHGBS-JIKOAWFWSA-N
SMILES：
CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)N)C(=O)NCC(=O)O
Systematic name (3)：
- L-Asn-L-Tyr-L-Lys-L-Asp-L-Ser-L-Cys-L-Ile-Gly-OH
- (3S)-3-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-アミノ-3-カルバモイルプロパンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]ヘキサンアミド]-3-{[(1S)-1-{[(1R)-1-{[(1S,2S)-1-[(カルボキシメチル)カルバモイル]-2-メチルブチル]カルバモイル}-2-スルファニルエチル]カルバモイル}-2-ヒドロキシエチル]カルバモイル}プロパン酸
- (3S)-3-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-{[(1S)-1-{[(1R)-1-{[(1S,2S)-1-[(carboxymethyl)carbamoyl]-2-methylbutyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid
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