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Substance Name: Eglin c (41-49)
RN: 122299-11-0
InChIKey: AHWKRDTXAJKKKX-WWRYCTMDSA-N

Molecular Formula

  • C48-H78-N12-O15

Molecular Weight

  • 1063.21
 
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Names and Synonyms

Name of Substance

  • Eglin c (41-49)

Synonym

  • Ser-pro-val-thr-leu-asp-leu-arg-tyr-OH

Registry Numbers

CAS Registry Number

  • 122299-11-0

System Generated Number

  • 0122299110

Structure Descriptors

InChI

1S/C48H78N12O15/c1-23(2)18-31(41(68)53-30(11-9-17-52-48(49)50)40(67)55-33(20-27-12-14-28(63)15-13-27)43(70)58-35(22-61)47(74)75)54-44(71)34(21-36(64)65)56-42(69)32(19-24(3)4)57-46(73)38(26(7)62)60-45(72)37(25(5)6)59-39(66)29-10-8-16-51-29/h12-15,23-26,29-35,37-38,51,61-63H,8-11,16-22H2,1-7H3,(H,53,68)(H,54,71)(H,55,67)(H,56,69)(H,57,73)(H,58,70)(H,59,66)(H,60,72)(H,64,65)(H,74,75)(H4,49,50,52)/t26-,29+,30+,31+,32+,33+,34+,35+,37+,38+/m1/s1

InChIKey

AHWKRDTXAJKKKX-WWRYCTMDSA-N

Smiles

N1[C@H](C(N[C@@H](C(C)C)C(N[C@H](C(=O)N[C@H](C(N[C@@H](CC(=O)O)C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(O)=O)CO)Cc2ccc(cc2)O)CCCNC(N)=N)CC(C)C)=O)=O)CC(C)C)[C@H](O)C)=O)=O)CCC1