(Q105032207)

English

N(1)Cys(2)-Leu-Gly-aIle-Gly-Ser-Cys(3)-Asn-Asp(1)-Phe-Ala-Gly-Cys(2)-Gly-Tyr-Ala-Ile-D-Val-Cys(3)-Phe-Trp-OH

chemical compound

In more languages

default for all languages

No label defined

No description defined

Statements

type of chemical entity

0 references

biogenic cyclopeptide

0 references

2,175.867495376 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₉₈H₁₃₃N₂₃O₂₆S₄

0 references

canonical SMILES

CCC(C)C1NC(=O)CNC(=O)C(CC(C)C)NC(=O)C2CSSCC3NC(=O)CNC(=O)C(C)NC(=O)C(Cc4ccccc4)NC(=O)C(CC(=O)N2)NC(=O)C(CC(N)=O)NC(=O)C(CSSCC(C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2c[nH]c4ccccc24)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)C(C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)CNC3=O)NC(=O)C(CO)NC(=O)CNC1=O

0 references

isomeric SMILES

CC[C@@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(=O)N2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)O)NC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC3=O)NC(=O)[C@H](CO)NC(=O)CNC1=O

0 references

1 reference

Siamycins I and II, new anti-HIV peptides: I. Fermentation, isolation, biological activity and initial characterization.

Identifiers

InChI=1S/C98H133N23O26S4/c1-11-50(7)80-95(143)104-41-76(127)108-68(43-122)91(139)117-71-46-150-151-47-72(94(142)113-64(33-55-23-17-14-18-24-55)88(136)116-67(98(146)147)35-57-38-100-60-26-20-19-25-59(57)60)118-96(144)79(49(5)6)120-97(145)81(51(8)12-2)121-83(131)53(10)106-86(134)62(34-56-27-29-58(123)30-28-56)107-75(126)40-103-85(133)69-44-148-149-45-70(92(140)111-61(31-48(3)4)84(132)102-42-78(129)119-80)109-74(125)37-66(115-89(137)65(36-73(99)124)114-93(71)141)90(138)112-63(32-54-21-15-13-16-22-54)87(135)105-52(9)82(130)101-39-77(128)110-69/h13-30,38,48-53,61-72,79-81,100,122-123H,11-12,31-37,39-47H2,1-10H3,(H2,99,124)(H,101,130)(H,102,132)(H,103,133)(H,104,143)(H,105,135)(H,106,134)(H,107,126)(H,108,127)(H,109,125)(H,110,128)(H,111,140)(H,112,138)(H,113,142)(H,114,141)(H,115,137)(H,116,136)(H,117,139)(H,118,144)(H,119,129)(H,120,145)(H,121,131)(H,146,147)/t50-,51+,52+,53+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,79-,80+,81+/m1/s1

0 references

HQDWMGCEUREUTK-YSBNIQEWSA-N

0 references

2 references

15 September 2022

matched by identifier from

HQDWMGCEUREUTK-YSBNIQEWSA-N

2 references

15 September 2022

matched by identifier from

HQDWMGCEUREUTK-YSBNIQEWSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C98H133N23O26S4/c1-11-50(7)80-95(143)104-41-76(127)108-68(43-122)91(139)117-71-46-150-151-47-72(94(142)113-64(33-55-23-17-14-18-24-55)88(136)116-67(98(146)147)35-57-38-100-60-26-20-19-25-59(57)60)118-96(144)79(49(5)6)120-97(145)81(51(8)12-2)121-83(131)53(10)106-86(134)62(34-56-27-29-58(123)30-28-56)107-75(126)40-103-85(133)69-44-148-149-45-70(92(140)111-61(31-48(3)4)84(132)102-42-78(129)119-80)109-74(125)37-66(115-89(137)65(36-73(99)124)114-93(71)141)90(138)112-63(32-54-21-15-13-16-22-54)87(135)105-52(9)82(130)101-39-77(128)110-69/h13-30,38,48-53,61-72,79-81,100,122-123H,11-12,31-37,39-47H2,1-10H3,(H2,99,124)(H,101,130)(H,102,132)(H,103,133)(H,104,143)(H,105,135)(H,106,134)(H,107,126)(H,108,127)(H,109,125)(H,110,128)(H,111,140)(H,112,138)(H,113,142)(H,114,141)(H,115,137)(H,116,136)(H,117,139)(H,118,144)(H,119,129)(H,120,145)(H,121,131)(H,146,147)/t50-,51+,52+,53+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,79-,80+,81+/m1/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

HQDWMGCEUREUTK-YSBNIQEWSA-N

Sitelinks

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