(Q106012514)

English

Ile-Tyr-Val

chemical compound

(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoic acid

In more languages

default values for all languages

No label defined

No description defined

Statements

type of chemical entity

0 references

chemical compound

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393.226371092 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₀H₃₁N₃O₅

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canonical SMILES

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

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

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

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Identifiers

InChI=1S/C20H31N3O5/c1-5-12(4)16(21)19(26)22-15(10-13-6-8-14(24)9-7-13)18(25)23-17(11(2)3)20(27)28/h6-9,11-12,15-17,24H,5,10,21H2,1-4H3,(H,22,26)(H,23,25)(H,27,28)/t12-,15-,16-,17-/m0/s1

1 reference

ChEBI release 2021-03-01

WRDTXMBPHMBGIB-STECZYCISA-N

1 reference

ChEBI release 2021-03-01

1 reference

ChEBI release 2021-03-01

mapping relation type

2 references

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI=1S/C20H31N3O5/c1-5-12(4)16(21)19(26)22-15(10-13-6-8-14(24)9-7-13)18(25)23-17(11(2)3)20(27)28/h6-9,11-12,15-17,24H,5,10,21H2,1-4H3,(H,22,26)(H,23,25)(H,27,28)/t12-,15-,16-,17-/m0/s1

UniChem compound ID

1 reference

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