The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/dinto_DB04697 http://purl.obolibrary.org/obo/dinto_DB04697
Preferred Name	trans-4-(guanidinomethyl)-cyclohexane-l-yl-d-3-cyclohexylalanyl-l-azetidine-2-yl-d-tyrosinyl-l-homoargininamide
Synonyms	C38H61N11O6 (1s,4s)-N-[(2R)-1-[(2S)-2-{[(1R)-1-{[(1S)-1-carbamoyl-5-[(diaminomethylidene)amino]pentyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}azetidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]-4-{[(diaminomethylidene)amino]methyl}cyclohexane-1-carboxamide
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	trans-4-(guanidinomethyl)-cyclohexane-l-yl-d-3-cyclohexylalanyl-l-azetidine-2-yl-d-tyrosinyl-l-homoargininamide
label	trans-4-(guanidinomethyl)-cyclohexane-l-yl-d-3-cyclohexylalanyl-l-azetidine-2-yl-d-tyrosinyl-l-homoargininamide
type	http://www.w3.org/2002/07/owl#Class
InChIKey	InChIKey=PCCHJIAHIWBHDQ-CNXMXSPQSA-N
Synonym	C38H61N11O6 (1s,4s)-N-[(2R)-1-[(2S)-2-{[(1R)-1-{[(1S)-1-carbamoyl-5-[(diaminomethylidene)amino]pentyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}azetidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]-4-{[(diaminomethylidene)amino]methyl}cyclohexane-1-carboxamide
xref	PDB:GAH PubChem Substance:46507271 PubChem Compound:5288332
prefixIRI	obo2:dinto_DB04697
related with	http://purl.obolibrary.org/obo/dinto_1008
SMILES	NC(N)=NCCCC[C@H](NC(=O)[C@@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]1CCN1C(=O)[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CC[C@H](CN=C(N)N)CC1)C(N)=O
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
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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