(Q82472216)

English

L-Methionyl-L-histidyl-L-isoleucyl-N~5~-(diaminomethylidene)-L-ornithyl-L-leucyl-L-serine

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

755.4112287840003 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₇N₁₁O₈S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC(C)C(N=C(O)C(Cc1cnc[nH]1)N=C(O)C(N)CCSC)C(O)=NC(CCCNC(=N)N)C(O)=NC(CC(C)C)C(O)=NC(CO)C(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C32H57N11O8S/c1-6-18(4)25(43-29(48)23(13-19-14-36-16-38-19)40-26(45)20(33)9-11-52-5)30(49)39-21(8-7-10-37-32(34)35)27(46)41-22(12-17(2)3)28(47)42-24(15-44)31(50)51/h14,16-18,20-25,44H,6-13,15,33H2,1-5H3,(H,36,38)(H,39,49)(H,40,45)(H,41,46)(H,42,47)(H,43,48)(H,50,51)(H4,34,35,37)/t18-,20-,21-,22-,23-,24-,25-/m0/s1

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InChIKey

YCOFUBUBRPWQEF-NMTVEPIMSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

YCOFUBUBRPWQEF-NMTVEPIMSA-N

1 reference

1 reference

matched by identifier from

InChIKey

YCOFUBUBRPWQEF-NMTVEPIMSA-N

DSSTOX compound identifier

DTXCID70531937

0 references

(Q82472216)

L-Methionyl-L-histidyl-L-isoleucyl-N~5~-(diaminomethylidene)-L-ornithyl-L-leucyl-L-serine

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