Chem
J-GLOBAL ID:200907097839872210   Nikkaji number:J659.845E

N2-[[(4bS)-7-(Cyclopropylmethyl)-1,8aβ-dihydroxy-5,6,7,8,8a,9,14,14bβ-octahydro-4,8α-methanobenzofuro[2,3-a]pyrido[4,3-b]carbazol]-13-ylcarbonyl]-L-ornithine

N2-[[(4bS)-7-(シクロプロピルメチル)-1,8aβ-ジヒドロキシ-5,6,7,8,8a,9,14,14bβ-オクタヒドロ-4,8α-メタノベンゾフロ[2,3-a]ピリド[4,3-b]カルバゾール]-13-イルカルボニル]-L-オルニチン
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: C32H36N4O6
Molecular formula furigana: C32-H36-N4-O6
Molecular weight: 572.662
InChI: InChI=1S/C32H36N4O6/c33-11-2-5-21(30(39)40)34-29(38)19-4-1-3-18-20-14-32(41)23-13-17-8-9-22(37)27-24(17)31(32,10-12-36(23)15-16-6-7-16)28(42-27)26(20)35-25(18)19/h1,3-4,8-9,16,21,23,28,35,37,41H,2,5-7,10-15,33H2,(H,34,38)(H,39,40)/t21-,23+,28-,31-,32+/m0/s1
InChI key: UTJUZGQNYUMWPT-MCMSEHQPSA-N
SMILES: NCCC[C@H](NC(=O)c1cccc2c3C[C@@]4(O)[C@H]5Cc6ccc(O)c7O[C@@H](c3[nH]c12)[C@]4(CCN5CC1CC1)c67)C(=O)O
Systematic name  (3):
  • N2-[[(4bS)-7-(シクロプロピルメチル)-1,8aβ-ジヒドロキシ-5,6,7,8,8a,9,14,14bβ-オクタヒドロ-4,8α-メタノベンゾフロ[2,3-a]ピリド[4,3-b]カルバゾール]-13-イルカルボニル]-L-オルニチン
  • (2S)-5-アミノ-2-{[(1S,2S,13R,21R)-22-(シクロプロピルメチル)-2,16-ジヒドロキシ-14-オキサ-11,22-ジアザヘプタシクロ[13.9.1.01,13.02,21.04,12.05,10.019,25]ペンタコサ-4(12),5,7,9,15(25),16,18-ヘプタエン-9-イル]ホルムアミド}ペンタン酸
  • (2S)-5-amino-2-{[(1S,2S,13R,21R)-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15(25),16,18-heptaen-9-yl]formamido}pentanoic acid
Other name (1):
  • N2-[[(4bS)-7-(Cyclopropylmethyl)-1,8aβ-dihydroxy-5,6,7,8,8a,9,14,14bβ-octahydro-4,8α-methanobenzofuro[2,3-a]pyrido[4,3-b]carbazol]-13-ylcarbonyl]-L-ornithine
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