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Substance Name: Phaa-tyr(Me)-phe-gln-asn-arg-pro-arg-tyr-NH2
RN: 135447-36-8
InChIKey: DXRLZDYXMQEIGJ-NDWCYBODSA-N

Note

  • Linear vasopressin antagonist.

Molecular Formula

  • C62-H83-N17-O13

Molecular Weight

  • 1274.4437
 
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Names and Synonyms

Results Name

  • Phaa-tyr(Me)-phe-gln-asn-arg-pro-arg-tyr-NH2

Name of Substance

  • Phenylacetyl-O-methyltyrosyl-phenylalanyl-glutaminyl-asparaginyl-prolyl-arginyl-tyrosinamide

Synonyms

  • Phaa-tyr(Me)-phe-gln-asn-arg-pro-arg-tyr-NH2
  • Ptmp linear avp antag

Systematic Name

  • L-Tyrosinamide, O-methyl-N-(phenylacetyl)-D-tyrosyl-L-phenylalanyl-L-glutaminyl-L-asparaginyl-L-arginyl-L-proplyl-L-arginyl-

Registry Numbers

CAS Registry Number

  • 135447-36-8

System Generated Number

  • 0135447368

Structure Descriptors

InChI

1S/C62H83N17O13/c1-92-41-24-20-39(21-25-41)31-45(53(65)84)76-54(85)42(15-8-28-70-61(66)67)74-59(90)49-17-10-30-79(49)60(91)44(16-9-29-71-62(68)69)75-58(89)48(35-51(64)82)78-55(86)43(26-27-50(63)81)73-57(88)47(32-36-11-4-2-5-12-36)77-56(87)46(33-38-18-22-40(80)23-19-38)72-52(83)34-37-13-6-3-7-14-37/h2-7,11-14,18-25,42-49,80H,8-10,15-17,26-35H2,1H3,(H2,63,81)(H2,64,82)(H2,65,84)(H,72,83)(H,73,88)(H,74,90)(H,75,89)(H,76,85)(H,77,87)(H,78,86)(H4,66,67,70)(H4,68,69,71)/t42-,43-,44-,45-,46+,47-,48-,49-/m0/s1

InChIKey

DXRLZDYXMQEIGJ-NDWCYBODSA-N

Smiles

COc1ccc(cc1)C[C@@H](C(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc4ccc(cc4)O)NC(=O)Cc5ccccc5