OIY

Summary

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-[(3S)-3-amino-6-{(3S)-3-amino-6-[(3S)-3,6-diaminohexanamido]hexanamido}hexanamido]-4-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxo-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-yl]-beta-D-gulopyranosylamine
OpenEye OEToolkits	2.0.7	[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(3~{a}~{S},7~{R},7~{a}~{S})-7-oxidanyl-4-oxidanylidene-1,3~{a},5,6,7,7~{a}-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3~{S})-3-azanyl-6-[[(3~{S})-3-azanyl-6-[[(3~{S})-3,6-bis(azanyl)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NCCCC(N)CC(=O)NCCCC(N)CC(=O)NCCCC(N)CC(=O)NC1C(O)C(OC(N)=O)C(CO)OC1NC=1NC2C(N=1)C(=O)NCC2O
InChI	InChI	1.03	InChI=1S/C31H58N12O10/c32-7-1-4-15(33)10-20(46)37-8-2-5-16(34)11-21(47)38-9-3-6-17(35)12-22(48)40-25-26(49)27(53-30(36)51)19(14-44)52-29(25)43-31-41-23-18(45)13-39-28(50)24(23)42-31/h15-19,23-27,29,44-45,49H,1-14,32-35H2,(H2,36,51)(H,37,46)(H,38,47)(H,39,50)(H,40,48)(H2,41,42,43)/t15-,16-,17-,18+,19+,23+,24-,25+,26-,27-,29+/m0/s1
InChIKey	InChI	1.03	WUJTXMVGXDQPNN-OTQKCRDJSA-N
SMILES_CANONICAL	CACTVS	3.385	NCCC[C@H](N)CC(=O)NCCC[C@H](N)CC(=O)NCCC[C@H](N)CC(=O)N[C@@H]1[C@H](O)[C@@H](OC(N)=O)[C@@H](CO)O[C@H]1NC2=N[C@H]3[C@H](N2)[C@H](O)CNC3=O
SMILES	CACTVS	3.385	NCCC[CH](N)CC(=O)NCCC[CH](N)CC(=O)NCCC[CH](N)CC(=O)N[CH]1[CH](O)[CH](OC(N)=O)[CH](CO)O[CH]1NC2=N[CH]3[CH](N2)[CH](O)CNC3=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCN)N)N)N)O
SMILES	OpenEye OEToolkits	2.0.7	C1C(C2C(C(=O)N1)N=C(N2)NC3C(C(C(C(O3)CO)OC(=O)N)O)NC(=O)CC(CCCNC(=O)CC(CCCNC(=O)CC(CCCN)N)N)N)O