N-{[(2S)-1-(N-{[cis-4-(carbamimidamidomethyl)cyclohexyl]carbonyl}-3-cyclohexyl-D-alanyl)azetidin-2-yl]carbonyl}-D-tyrosyl-N(6)-carbamimidoyl-L-lysinamide (CHEBI:42669)

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CHEBI:42669 - N-{[(2S)-1-(N-{[cis-4-(carbamimidamidomethyl)cyclohexyl]carbonyl}-3-cyclohexyl-D-alanyl)azetidin-2-yl]carbonyl}-D-tyrosyl-N⁶-carbamimidoyl-L-lysinamide

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ChEBI ID	CHEBI:42669
ChEBI Name	N-{[(2S)-1-(N-{[cis-4-(carbamimidamidomethyl)cyclohexyl]carbonyl}-3-cyclohexyl-D-alanyl)azetidin-2-yl]carbonyl}-D-tyrosyl-N⁶-carbamimidoyl-L-lysinamide
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ASCII Name	N-{[(2S)-1-(N-{[cis-4-(carbamimidamidomethyl)cyclohexyl]carbonyl}-3-cyclohexyl-D-alanyl)azetidin-2-yl]carbonyl}-D-tyrosyl-N(6)-carbamimidoyl-L-lysinamide
Last Modified	16 May 2008
Downloads	Molfile

Formula	C38H61N11O6
Net Charge	0
Average Mass	767.977
Monoisotopic Mass	767.48063
SMILES	[H]/N=C(\N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)N([H])[H])N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)[C@]([H])(N([H])C(=O)[C@]2([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])N([H])/C(=N/[H])N([H])[H])C([H])([H])C2([H])[H])C([H])([H])C2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C1([H])[H])C([H])([H])c1c([H])c([H])c(O[H])c([H])c1[H]
InChI	InChI=1S/C38H61N11O6/c39-32(51)28(8-4-5-18-44-37(40)41)46-34(53)29(20-24-11-15-27(50)16-12-24)47-35(54)31-17-19-49(31)36(55)30(21-23-6-2-1-3-7-23)48-33(52)26-13-9-25(10-14-26)22-45-38(42)43/h11-12,15-16,23,25-26,28-31,50H,1-10,13-14,17-22H2,(H2,39,51)(H,46,53)(H,47,54)(H,48,52)(H4,40,41,44)(H4,42,43,45)/t25-,26-,28-,29+,30+,31-/m0/s1
InChIKey	PCCHJIAHIWBHDQ-QULKKBHESA-N

ChEBI Ontology

Outgoing Relation(s)
	N-{[(2S)-1-(N-{[cis-4-(carbamimidamidomethyl)cyclohexyl]carbonyl}-3-cyclohexyl-D-alanyl)azetidin-2-yl]carbonyl}-D-tyrosyl-N⁶-carbamimidoyl-L-lysinamide (CHEBI:42669) is a N-acylazetidine (CHEBI:46959)
	N-{[(2S)-1-(N-{[cis-4-(carbamimidamidomethyl)cyclohexyl]carbonyl}-3-cyclohexyl-D-alanyl)azetidin-2-yl]carbonyl}-D-tyrosyl-N⁶-carbamimidoyl-L-lysinamide (CHEBI:42669) is a guanidines (CHEBI:24436)
	N-{[(2S)-1-(N-{[cis-4-(carbamimidamidomethyl)cyclohexyl]carbonyl}-3-cyclohexyl-D-alanyl)azetidin-2-yl]carbonyl}-D-tyrosyl-N⁶-carbamimidoyl-L-lysinamide (CHEBI:42669) is a tripeptide (CHEBI:47923)

Synonym	Source
N-{[(2S)-1-(N-{[cis-4-(carbamimidamidomethyl)cyclohexyl]carbonyl}-3-cyclohexyl-D-alanyl)azetidin-2-yl]carbonyl}-D-tyrosyl-N~6~-carbamimidoyl-L-lysinamide	PDBeChem

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