Chem
J-GLOBAL ID：200907058338521098   Nikkaji number：J389.514I

BIM-23014

BIM-23014
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： C54H69N11O10S2
Molecular formula furigana： C54-H69-N11-O10-S2
Molecular weight： 1096.330
InChI： InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30-,38-,40+,41+,42?,43?,44?,45?,46+/m1/s1
InChI key： PUDHBTGHUJUUFI-LKAUNBTJSA-N
SMILES： CC(C)C1NC(=O)[C@H](CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N)NC(=O)[C@H](N)Cc1ccc2ccccc2c1
Systematic name  (5)：
  • D-βNal-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-Val-L-Cys(1)-L-Thr-NH2
  • 3-(2-ナフタレニル)-D-Ala-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-Val-L-Cys(1)-L-Thr-NH2
  • 3-(2-ナフチル)-D-Ala-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-Val-L-Cys(1)-L-Thr-NH2
  • (2S,3R)-2-{[(4R,7S,10S,13R,16S,19R)-19-[(2R)-2-アミノ-3-(ナフタレン-2-イル)プロパンアミド]-10-(4-アミノブチル)-16-[(4-ヒドロキシフェニル)メチル]-13-[(1H-インドール-3-イル)メチル]-6,9,12,15,18-ペンタオキソ-7-(プロパン-2-イル)-1,2-ジチア-5,8,11,14,17-ペンタアザシクロイコサン-4-イル]ホルムアミド}-3-ヒドロキシブタンアミド
  • (2S,3R)-2-{[(4R,7S,10S,13R,16S,19R)-19-[(2R)-2-amino-3-(naphthalen-2-yl)propanamido]-10-(4-aminobutyl)-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-7-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}-3-hydroxybutanamide
Other name (10)：
  • BIM-23014
  • アンギオペプチン
  • Angiopeptin
  • 3-(2-Naphthyl)-D-Ala-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-Val-L-Cys(1)-L-Thr-NH2
  • ランレオチド
Show all
CAS registry number： 108736-35-2
Application (3)：
antihormone ,  non-steroidalanti-inflammatoryagent ,  antitumor drug
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