Chem
J-GLOBAL ID：201007000224808608
Nikkaji number：J2.806.401B
L-Ala-L-Pro-L-Arg-L-Lys-L-Asn-L-Val-L-Arg-L-Trp-Xaa-L-Thr-L-Ile-Xaa-L-Gln-OH
L-Ala-L-Pro-L-Arg-L-Lys-L-Asn-L-Val-L-Arg-L-Trp-Xaa-L-Thr-L-Ile-Xaa-L-Gln-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： C67H105N23O17
Molecular formula furigana： C67-H105-N23-O17
Molecular weight： 1504.721
InChI：
InChI=1S/C67H105N23O17/c1-9-33(4)51(62(103)80-35(6)53(94)84-44(65(106)107)23-24-48(70)92)88-63(104)52(37(8)91)89-54(95)36(7)79-58(99)45(29-38-31-78-40-18-11-10-17-39(38)40)85-57(98)43(21-15-27-77-67(74)75)83-61(102)50(32(2)3)87-59(100)46(30-49(71)93)86-56(97)41(19-12-13-25-68)81-55(96)42(20-14-26-76-66(72)73)82-60(101)47-22-16-28-90(47)64(105)34(5)69/h10-11,17-18,31-37,41-47,50-52,78,91H,9,12-16,19-30,68-69H2,1-5,8H3,(H2,70,92)(H2,71,93)(H,79,99)(H,80,103)(H,81,96)(H,82,101)(H,83,102)(H,84,94)(H,85,98)(H,86,97)(H,87,100)(H,88,104)(H,89,95)(H,106,107)(H4,72,73,76)(H4,74,75,77)/t33-,34-,35?,36?,37+,41-,42-,43-,44-,45-,46-,47-,50-,51-,52-/m0/s1
InChI key：
FHZVCQDYLUNVFE-GFMOITCOSA-N
SMILES：
[C]C(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC([C])C(=O)N[C@@H](CCC(=O)N)C(=O)O
Systematic name (3)：
- L-Ala-L-Pro-L-Arg-L-Lys-L-Asn-L-Val-L-Arg-L-Trp-Xaa-L-Thr-L-Ile-Xaa-L-Gln-OH
- 2-[(2S,3S)-2-[(2S,3R)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-{[(2S)-1-[(2S)-2-アミノプロパノイル]ピロリジン-2-イル]ホルムアミド}-5-カルバムイミドアミドペンタンアミド]ヘキサンアミド]-3-カルバモイルプロパンアミド]-3-メチルブタンアミド]-5-カルバムイミドアミドペンタンアミド]-3-(1H-インドール-3-イル)プロパンアミド]プロパンアミド}-3-ヒドロキシブタンアミド]-3-メチルペンタンアミド]-2-{[(1S)-3-カルバモイル-1-カルボキシプロピル]カルバモイル}エチリジン
- 2-[(2S,3S)-2-[(2S,3R)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]hexanamido]-3-carbamoylpropanamido]-3-methylbutanamido]-5-carbamimidamidopentanamido]-3-(1H-indol-3-yl)propanamido]propanamido}-3-hydroxybutanamido]-3-methylpentanamido]-2-{[(1S)-3-carbamoyl-1-carboxypropyl]carbamoyl}ethylidyne
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