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Substance Name: U 70714E
RN: 114376-16-8
InChIKey: FFSCESWJZKPQHE-XVLSDOAMSA-N

Molecular Formula

  • C66-H76-N12-O10

Molecular Weight

  • 1197.4004
 
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Names and Synonyms

Name of Substance

  • U 70714E

Synonym

  • U-70714E

Systematic Name

  • L-Tyrosinamide, N-(2-((N-(N-(1-(N-acetyl-1-formyl-L-tryptophyl)-L-prolyl)-L-phenylalanyl)-L-histidyl)amino)-3-phenylpropyl)-L-phenylalanyl-L-valyl-, (S)-

Registry Numbers

CAS Registry Number

  • 114376-16-8

System Generated Number

  • 0114376168

Structure Descriptors

InChI

1S/C66H76N12O10/c1-41(2)59(65(87)73-52(60(67)82)31-46-25-27-50(81)28-26-46)76-61(83)53(32-44-18-9-5-10-19-44)69-37-49(30-43-16-7-4-8-17-43)72-62(84)55(35-48-36-68-39-70-48)74-63(85)54(33-45-20-11-6-12-21-45)75-64(86)58-24-15-29-78(58)66(88)56(71-42(3)80)34-47-38-77(40-79)57-23-14-13-22-51(47)57/h4-14,16-23,25-28,36,38-41,49,52-56,58-59,69,81H,15,24,29-35,37H2,1-3H3,(H2,67,82)(H,68,70)(H,71,80)(H,72,84)(H,73,87)(H,74,85)(H,75,86)(H,76,83)/t49-,52-,53-,54-,55-,56-,58-,59-/m0/s1

InChIKey

FFSCESWJZKPQHE-XVLSDOAMSA-N

Smiles

CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N)NC(=O)[C@H](Cc2ccccc2)NC[C@H](Cc3ccccc3)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](Cc7cn(c8c7cccc8)C=O)NC(=O)C