MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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MI-1148

	Properties	Image
MNX_ID	MNXM1128817
reference	chebi:167663
formula	C₃₆H₅₇N₁₅O₄
global charge	0
mol weight	763.953
InChIKey	HXVPWVPTVOOCMV-UNCTUWKVSA-N
InChI	InChI=1S/C36H57N15O4/c1-36(2,3)28(32(55)50-25(6-4-16-45-33(39)40)30(53)47-19-23-12-14-24(15-13-23)29(37)38)51-31(54)26(7-5-17-46-34(41)42)49-27(52)18-21-8-10-22(11-9-21)20-48-35(43)44/h8-15,25-26,28H,4-7,16-20H2,1-3H3,(H3,37,38)(H,47,53)(H,49,52)(H,50,55)(H,51,54)(H4,39,40,45)(H4,41,42,46)(H4,43,44,48)/t25-,26-,28+/m0/s1
SMILES	CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC1=CC=C(CNC(=N)N)C=C1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC1=CC=C(C(=N)N)C=C1

MNX internals

InChI (mnx)	InChI=1/C36H57N15O4/c1-36(2,3)28(32(55)50-25(6-4-16-45-33(39)40)30(53)47-19-23-12-14-24(15-13-23)29(37)38)51-31(54)26(7-5-17-46-34(41)42)49-27(52)18-21-8-10-22(11-9-21)20-48-35(43)44/h8-15,25-26,28H,4-7,16-20H2,1-3H3,(H3,37,38)(H,47,53)(H,49,52)(H,50,55)(H,51,54)(H4,39,40,45)(H4,41,42,46)(H4,43,44,48)/t25-,26-,28+/m0/s1
SMILES (mnx)	[CH3:1][C:36]([CH3:2])([CH3:3])[C@@H:28]([C:32](=[N:50][C@@H:25]([CH2:6][CH2:4][CH2:16][NH:45][C:33](=[NH:39])[NH2:40])[C:30](=[N:47][CH2:19][C:23]1=[CH:13][CH:15]=[C:24]([C:29]([NH2:37])=[NH:38])[CH:14]=[CH:12]1)[OH:53])[OH:55])[N:51]=[C:31]([C@H:26]([CH2:7][CH2:5][CH2:17][NH:46][C:34](=[NH:41])[NH2:42])[N:49]=[C:27]([CH2:18][C:21]1=[CH:9][CH:11]=[C:22]([CH2:20][NH:48][C:35](=[NH:43])[NH2:44])[CH:10]=[CH:8]1)[OH:52])[OH:54]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-9683559 reactomeM:R-ALL-9683559 CHEBI:167663 chebi:167663 HXVPWVPTVOOCMV-UNCTUWKVSA-N	MI-1148 (2S)-5-carbamimidamido-2-{[(2S)-2-{[(2S)-5-carbamimidamido-2-{2-[4-(carbamimidamidomethyl)phenyl]acetamido}pentanoyl]amino}-3,3-dimethylbutanoyl]amino}-N-(4-carbamimidoylbenzyl)pentanamide 4-(guanidinomethyl)phenylacetyl-Arg-Tle-Arg-4-amidinobenzylamide 4-guanidinomethyl-Phac-Arg-Tle-Arg-4-amba 4-guanidinomethyl-phenylacteyl-Arg-Tle-Arg-4-amidinobenzylamide MI 1148 MI1148 N(2)-{[4-(carbamimidamidomethyl)phenyl]acetyl}-L-arginyl-3-methyl-L-valyl-N-(4-carbamimidoylbenzyl)-L-argininamide N(2)-{[4-(carbamimidamidomethyl)phenyl]acetyl}-L-arginyl-3-methyl-L-valyl-N-[(4-carbamimidoylphenyl)methyl]-L-argininamide