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Substance Name: Alytesin
RN: 31078-12-3
InChIKey: ISGGITPLKHZHOL-TXYKKBLVSA-N

Molecular Formula

  • C68-H106-N22-O17-S

Molecular Weight

  • 1535.79
 
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Names and Synonyms

Name of Substance

  • Alytesin

Synonym

  • Pgly-arg-leu-gly-thr-gln-trp-ala-val-gly-his-leu-met-NH2

Systematic Name

  • Alytesin

Registry Numbers

CAS Registry Number

  • 31078-12-3

System Generated Number

  • 0031078123

Structure Descriptors

InChI

1S/C68H106N22O17S/c1-33(2)23-46(86-61(101)43(15-12-21-74-68(71)72)82-52(94)29-76-59(99)44-17-19-51(93)81-44)60(100)77-31-54(96)89-56(37(8)91)67(107)85-45(16-18-50(69)92)62(102)88-48(25-38-27-75-41-14-11-10-13-40(38)41)63(103)80-36(7)58(98)90-55(35(5)6)66(106)78-30-53(95)83-49(26-39-28-73-32-79-39)65(105)87-47(24-34(3)4)64(104)84-42(57(70)97)20-22-108-9/h10-11,13-14,27-28,32-37,42-49,55-56,75,91H,12,15-26,29-31H2,1-9H3,(H2,69,92)(H2,70,97)(H,73,79)(H,76,99)(H,77,100)(H,78,106)(H,80,103)(H,81,93)(H,82,94)(H,83,95)(H,84,104)(H,85,107)(H,86,101)(H,87,105)(H,88,102)(H,89,96)(H,90,98)(H4,71,72,74)/t36-,37+,42-,43-,44-,45-,46-,47-,48-,49-,55-,56-/m0/s1

InChIKey

ISGGITPLKHZHOL-TXYKKBLVSA-N

Smiles

C1[C@H](NC(C1)=O)C(NCC(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(C)C)C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(=O)N[C@@H](C)C(N[C@H](C(NCC(N[C@@H](Cc1cnc[nH]1)C(N[C@@H](CC(C)C)C(N[C@@H](CCSC)C(=O)N)=O)=O)=O)=O)C(C)C)=O)Cc1c[nH]c2ccccc12)=O)CCC(N)=O)=O)[C@@H](C)O)=O)=O)=O)=O)=O