Chem
J-GLOBAL ID：200907026031147823
Nikkaji number：J2.111.711K
Lys-Thr-Asn-Met-Lys-His-Met-Ala-Gly-Ala-Ala-Ala-Ala-Gly-Ala-Val-Val-Gly-Gly-Leu-Gly-OH
Lys-Thr-Asn-Met-Lys-His-Met-Ala-Gly-Ala-Ala-Ala-Ala-Gly-Ala-Val-Val-Gly-Gly-Leu-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： C80H138N26O24S2
Molecular formula furigana： C80-H138-N26-O24-S2
Molecular weight： 1912.260
InChI：
InChI=1S/C80H138N26O24S2/c1-38(2)28-53(72(122)90-36-61(113)114)98-60(112)33-86-57(109)32-89-78(128)62(39(3)4)105-79(129)63(40(5)6)104-70(120)44(10)93-59(111)35-87-65(115)41(7)94-68(118)45(11)96-69(119)46(12)95-67(117)43(9)92-58(110)34-88-66(116)42(8)97-73(123)51(22-26-131-14)100-76(126)54(29-48-31-85-37-91-48)102-74(124)50(21-17-19-25-82)99-75(125)52(23-27-132-15)101-77(127)55(30-56(84)108)103-80(130)64(47(13)107)106-71(121)49(83)20-16-18-24-81/h31,37-47,49-55,62-64,107H,16-30,32-36,81-83H2,1-15H3,(H2,84,108)(H,85,91)(H,86,109)(H,87,115)(H,88,116)(H,89,128)(H,90,122)(H,92,110)(H,93,111)(H,94,118)(H,95,117)(H,96,119)(H,97,123)(H,98,112)(H,99,125)(H,100,126)(H,101,127)(H,102,124)(H,103,130)(H,104,120)(H,105,129)(H,106,121)(H,113,114)/t41-,42-,43-,44-,45-,46-,47+,49-,50-,51-,52-,53-,54-,55-,62-,63-,64-/m0/s1
InChI key：
XPZWWTIIKSODDO-MBNDGZRNSA-N
SMILES：
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O
Systematic name (3)：
- Lys-Thr-Asn-Met-Lys-His-Met-Ala-Gly-Ala-Ala-Ala-Ala-Gly-Ala-Val-Val-Gly-Gly-Leu-Gly-OH
- 2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-3-カルバモイル-2-[(2S,3R)-2-[(2S)-2,6-ジアミノヘキサンアミド]-3-ヒドロキシブタンアミド]プロパンアミド]-4-(メチルスルファニル)ブタンアミド]ヘキサンアミド]-3-(1H-イミダゾール-4-イル)プロパンアミド]-4-(メチルスルファニル)ブタンアミド]プロパンアミド]アセトアミド}プロパンアミド]プロパンアミド]プロパンアミド]プロパンアミド]アセトアミド}プロパンアミド]-3-メチルブタンアミド]-3-メチルブタンアミド]アセトアミド}アセトアミド)-4-メチルペンタンアミド]酢酸
- 2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S,3R)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxybutanamido]propanamido]-4-(methylsulfanyl)butanamido]hexanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]propanamido]acetamido}propanamido]propanamido]propanamido]propanamido]acetamido}propanamido]-3-methylbutanamido]-3-methylbutanamido]acetamido}acetamido)-4-methylpentanamido]acetic acid
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