Chem
J-GLOBAL ID:200907027703526948   Nikkaji number:J944.764D

DC-32-57

D-αNal-D-Cys(1)-L-Tyr-D-Trp-L-Lys-L-Val-L-Cys(1)-L-αNal-NH2
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: C61H69N11O9S2
Molecular formula furigana: C61-H69-N11-O9-S2
Molecular weight: 1164.410
InChI: InChI=1S/C61H69N11O9S2/c1-34(2)52-61(81)70-50(59(79)72-53(54(64)74)44-21-12-16-37-14-4-6-18-41(37)44)33-83-82-32-49(69-60(80)51(63)43-20-11-15-36-13-3-5-17-40(36)43)58(78)67-47(29-35-24-26-39(73)27-25-35)56(76)68-48(30-38-31-65-45-22-8-7-19-42(38)45)57(77)66-46(55(75)71-52)23-9-10-28-62/h3-8,11-22,24-27,31,34,46-53,65,73H,9-10,23,28-30,32-33,62-63H2,1-2H3,(H2,64,74)(H,66,77)(H,67,78)(H,68,76)(H,69,80)(H,70,81)(H,71,75)(H,72,79)/t46-,47-,48?,49?,50?,51+,52?,53-/m0/s1
InChI key: FALIUHYDIFOHSQ-QPNUYXRCSA-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(=O)N)c1cccc2ccccc12)NC(=O)[C@H](N)c1cccc2ccccc12
Systematic name  (3):
  • D-αNal-D-Cys(1)-L-Tyr-D-Trp-L-Lys-L-Val-L-Cys(1)-L-αNal-NH2
  • (2R)-2-アミノ-N-[(4R,7S,10S,13R,16S,19S)-10-(4-アミノブチル)-4-{[(S)-カルバモイル(ナフタレン-1-イル)メチル]カルバモイル}-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-19-イル]-2-(ナフタレン-1-イル)アセトアミド
  • (2R)-2-amino-N-[(4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-4-{[(S)-carbamoyl(naphthalen-1-yl)methyl]carbamoyl}-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-19-yl]-2-(naphthalen-1-yl)acetamide
Other name (1):
  • DC-32-57
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