(Q106015460)

English

Met-Tyr-Thr

chemical compound

(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoic acid

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Statements

type of chemical entity

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chemical compound

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413.162056584 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₈H₂₇N₃O₆S

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canonical SMILES

CSCCC(N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(=O)O)C(C)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCSC)N)O

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Identifiers

InChI=1S/C18H27N3O6S/c1-10(22)15(18(26)27)21-17(25)14(9-11-3-5-12(23)6-4-11)20-16(24)13(19)7-8-28-2/h3-6,10,13-15,22-23H,7-9,19H2,1-2H3,(H,20,24)(H,21,25)(H,26,27)/t10-,13+,14+,15+/m1/s1

1 reference

ChEBI release 2021-03-01

JHVNNUIQXOGAHI-KJEVXHAQSA-N

1 reference

ChEBI release 2021-03-01

2 references

ChEBI release 2021-03-01

matched by identifier from

JHVNNUIQXOGAHI-KJEVXHAQSA-N

mapping relation type

2 references

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI=1S/C18H27N3O6S/c1-10(22)15(18(26)27)21-17(25)14(9-11-3-5-12(23)6-4-11)20-16(24)13(19)7-8-28-2/h3-6,10,13-15,22-23H,7-9,19H2,1-2H3,(H,20,24)(H,21,25)(H,26,27)/t10-,13+,14+,15+/m1/s1

UniChem compound ID

1 reference

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