PRD_001237

Summary

Program	Version	Name
ACDLabs	12.01	N-(tert-butoxycarbonyl)-L-alanyl-N-[(2R)-1-hydroxypropan-2-yl]-L-alaninamide
OpenEye OEToolkits	1.7.6	tert-butyl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanylpropan-2-yl]amino]propan-2-yl]amino]propan-2-yl]carbamate

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(C)CO)C)C
InChI	InChI	1.03	InChI=1S/C14H27N3O5/c1-8(7-18)15-11(19)9(2)16-12(20)10(3)17-13(21)22-14(4,5)6/h8-10,18H,7H2,1-6H3,(H,15,19)(H,16,20)(H,17,21)
InChIKey	InChI	1.03	ZDBAGKSKWGMJBI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C
SMILES	CACTVS	3.385	C[CH](CO)NC(=O)[CH](C)NC(=O)[CH](C)NC(=O)OC(C)(C)C
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	C[C@@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C
SMILES	OpenEye OEToolkits	1.7.6	CC(CO)NC(=O)C(C)NC(=O)C(C)NC(=O)OC(C)(C)C