(Q105244856)

English

N(1)Gly-Asn-Trp-His-Gly-Thr-Ser-Pro-Asp(1)-Trp-Phe-Phe-Asn-Tyr-Tyr-Trp-OH

chemical compound

In more languages

Statements

type of chemical entity

0 references

N(1)Gly-DL-Asn-DL-Trp-DL-His-Gly-DL-xiThr-DL-Ser-DL-Pro-DL-Asp(1)-DL-Trp-DL-Phe-DL-Phe-DL-Asn-DL-Tyr-DL-Tyr-DL-Trp-OH

1 reference

based on heuristic

inferred from SMILES

2,057.84853156 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₀₃H₁₁₅N₂₃O₂₄

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canonical SMILES

CC(O)C1NC(=O)CNC(=O)C(Cc2cnc[nH]2)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)CC(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CC(N)=O)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)C2CCCN2C(=O)C(CO)NC1=O

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isomeric SMILES

C[C@@H](O)[C@@H]1NC(=O)CNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)C[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC1=O

0 references

1 reference

RES-701-2, -3 and -4, novel and selective endothelin type B receptor antagonists produced by Streptomyces sp. I. Taxonomy of producing strains, fermentation, isolation, and biochemical properties.

Identifiers

InChI=1S/C103H115N23O24/c1-54(128)89-101(147)124-82(52-127)102(148)126-34-14-25-83(126)100(146)122-80(45-86(133)110-50-87(134)113-78(43-84(104)131)97(143)118-76(40-60-47-108-69-23-12-9-20-66(60)69)96(142)120-77(42-62-49-106-53-112-62)90(136)111-51-88(135)125-89)99(145)119-75(39-59-46-107-68-22-11-8-19-65(59)68)95(141)116-71(35-55-15-4-2-5-16-55)91(137)114-72(36-56-17-6-3-7-18-56)93(139)121-79(44-85(105)132)98(144)117-73(37-57-26-30-63(129)31-27-57)92(138)115-74(38-58-28-32-64(130)33-29-58)94(140)123-81(103(149)150)41-61-48-109-70-24-13-10-21-67(61)70/h2-13,15-24,26-33,46-49,53-54,71-83,89,107-109,127-130H,14,25,34-45,50-52H2,1H3,(H2,104,131)(H2,105,132)(H,106,112)(H,110,133)(H,111,136)(H,113,134)(H,114,137)(H,115,138)(H,116,141)(H,117,144)(H,118,143)(H,119,145)(H,120,142)(H,121,139)(H,122,146)(H,123,140)(H,124,147)(H,125,135)(H,149,150)/t54-,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,89+/m1/s1

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RSSUBDDVAQNPLG-FRAOHGCJSA-N

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1 reference

15 September 2022

1 reference

15 September 2022

UniChem compound ID

1 reference

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