ZX0

(3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline

Created:	2009-12-03
Last modified:	2024-09-27

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1 entries where ZX0 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	3
Bond Count	46
Aromatic Bond Count	0

2D diagram of ZX0

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Chemical Component Summary
Name	(3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline
Systematic Name (OpenEye OEToolkits)	(2S,3R)-1-[[(4S)-azepan-4-yl]carbamoyl]-3-(sulfoamino)pyrrolidine-2-carboxylic acid
Formula	C₁₂ H₂₂ N₄ O₆ S
Molecular Weight	350.391
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(O)NC2C(C(=O)O)N(C(=O)NC1CCCNCC1)CC2
SMILES	CACTVS	3.352	OC(=O)[CH]1[CH](CCN1C(=O)N[CH]2CCCNCC2)N[S](O)(=O)=O
SMILES	OpenEye OEToolkits	1.6.1	C1CC(CCNC1)NC(=O)N2CCC(C2C(=O)O)NS(=O)(=O)O
Canonical SMILES	CACTVS	3.352	OC(=O)[C@@H]1[C@@H](CCN1C(=O)N[C@H]2CCCNCC2)N[S](O)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.6.1	C1C[C@@H](CCNC1)NC(=O)N2CC[C@H]([C@H]2C(=O)O)NS(=O)(=O)O
InChI	InChI	1.03	InChI=1S/C12H22N4O6S/c17-11(18)10-9(15-23(20,21)22)4-7-16(10)12(19)14-8-2-1-5-13-6-3-8/h8-10,13,15H,1-7H2,(H,14,19)(H,17,18)(H,20,21,22)/t8-,9+,10-/m0/s1
InChIKey	InChI	1.03	WWLDRJMXWRULQB-AEJSXWLSSA-N

Related Resource References

Resource Name	Reference
PubChem	44543632

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.