Chem
J-GLOBAL ID:200907096420792252   Nikkaji number:J2.449.263J

Hymenocardine

ヒメノカルジン
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: C37H50N6O6
Molecular formula furigana: C37-H50-N6-O6
Molecular weight: 674.843
InChI: InChI=1S/C37H50N6O6/c1-9-22(4)31(43(7)8)35(47)41-30(21(2)3)34(46)42-32-36(48)40-28(18-24-19-38-27-13-11-10-12-26(24)27)33(45)39-20-29(44)23-14-16-25(17-15-23)49-37(32,5)6/h10-17,19,21-22,28,30-32,38H,9,18,20H2,1-8H3,(H,39,45)(H,40,48)(H,41,47)(H,42,46)/t22-,28-,30-,31-,32+/m0/s1
InChI key: ATQXXRJEZULCTG-DLCFQVRISA-N
SMILES: CC[C@H](C)[C@H](N(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)c2ccc(OC1(C)C)cc2
Systematic name  (3):
  • Nα-(N,N-ジメチル-L-イソロイシル)-N-[(4S,7S)-7-(1H-インドール-3-イルメチル)-3,3-ジメチル-5,8,11-トリオキソ-2-オキサ-6,9-ジアザビシクロ[10.2.2]ヘキサデカ-1(14),12,15-トリエン-4-イル]-L-バリンアミド
  • (2S,3S)-2-(ジメチルアミノ)-N-[(1S)-1-{[(4S,7S)-7-[(1H-インドール-3-イル)メチル]-3,3-ジメチル-5,8,11-トリオキソ-2-オキサ-6,9-ジアザビシクロ[10.2.2]ヘキサデカ-1(14),12,15-トリエン-4-イル]カルバモイル}-2-メチルプロピル]-3-メチルペンタンアミド
  • (2S,3S)-2-(dimethylamino)-N-[(1S)-1-{[(4S,7S)-7-[(1H-indol-3-yl)methyl]-3,3-dimethyl-5,8,11-trioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]carbamoyl}-2-methylpropyl]-3-methylpentanamide
Other name (3):
  • Nα-(N,N-Dimethyl-L-isoleucyl)-N-[(4S,7S)-7-(1H-indole-3-ylmethyl)-3,3-dimethyl-5,8,11-trioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-4-yl]-L-valinamide
  • ヒメノカルジン
  • Hymenocardine
CAS registry number: 19771-56-3
KEGG COMPOUND: C10004
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