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Substance Name: Hydrin 1
RN: 122842-47-1
InChIKey: BJRAYGWQMPNTHC-CAOVDFMNSA-N

Note

  • Vasotocin C-terminally extended with Gly-Lys-Arg sequence; not active on rat uterus or rat blood pressure.

Molecular Weight

  • 1392.6247
 
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Names and Synonyms

Name of Substance

  • Hydrin 1

Systematic Name

  • Oxytocin, 8-L-arginine-9a-glycine-9b-L-lysine-9c-L-arginine-

Registry Numbers

CAS Registry Number

  • 122842-47-1

System Generated Number

  • 0122842471

Structure Descriptors

InChI

1S/C57H93N21O16S2/c1-3-29(2)45-53(91)72-35(17-18-41(60)80)49(87)75-38(24-42(61)81)50(88)76-39(28-96-95-27-32(59)46(84)74-37(51(89)77-45)23-30-13-15-31(79)16-14-30)54(92)78-22-8-12-40(78)52(90)71-33(10-6-20-66-56(62)63)47(85)69-25-43(82)68-26-44(83)70-34(9-4-5-19-58)48(86)73-36(55(93)94)11-7-21-67-57(64)65/h13-16,29,32-40,45,79H,3-12,17-28,58-59H2,1-2H3,(H2,60,80)(H2,61,81)(H,68,82)(H,69,85)(H,70,83)(H,71,90)(H,72,91)(H,73,86)(H,74,84)(H,75,87)(H,76,88)(H,77,89)(H,93,94)(H4,62,63,66)(H4,64,65,67)/t29-,32-,33-,34-,35-,36-,37-,38-,39-,40-,45?/m0/s1

InChIKey

BJRAYGWQMPNTHC-CAOVDFMNSA-N

Smiles

CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)Cc2ccc(cc2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC(=O)N)CCC(=O)N