C1G

N~1~-[(2S)-1-amino-5-(carbamoylamino)pentan-2-yl]-N'~1~-[(1R)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide

Created:	2017-09-08
Last modified:	2024-09-27

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1 entries where C1G is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	2
Bond Count	57
Aromatic Bond Count	5

2D diagram of C1G

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Chemical Component Summary
Name	N~1~-[(2S)-1-amino-5-(carbamoylamino)pentan-2-yl]-N'~1~-[(1R)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide
Systematic Name (OpenEye OEToolkits)	~{N}1'-[(2~{S})-5-(aminocarbonylamino)-1-azanyl-pentan-2-yl]-~{N}1-[(1~{R})-1-thiophen-3-ylethyl]cyclobutane-1,1-dicarboxamide
Formula	C₁₈ H₂₉ N₅ O₃ S
Molecular Weight	395.52
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(=O)(C1(CCC1)C(NC(CCCNC(N)=O)CN)=O)NC(C)c2ccsc2
SMILES	CACTVS	3.385	C[CH](NC(=O)C1(CCC1)C(=O)N[CH](CN)CCCNC(N)=O)c2cscc2
SMILES	OpenEye OEToolkits	2.0.6	CC(c1ccsc1)NC(=O)C2(CCC2)C(=O)NC(CCCNC(=O)N)CN
Canonical SMILES	CACTVS	3.385	C[C@@H](NC(=O)C1(CCC1)C(=O)N[C@H](CN)CCCNC(N)=O)c2cscc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@H](c1ccsc1)NC(=O)C2(CCC2)C(=O)N[C@@H](CCCNC(=O)N)CN
InChI	InChI	1.03	InChI=1S/C18H29N5O3S/c1-12(13-5-9-27-11-13)22-15(24)18(6-3-7-18)16(25)23-14(10-19)4-2-8-21-17(20)26/h5,9,11-12,14H,2-4,6-8,10,19H2,1H3,(H,22,24)(H,23,25)(H3,20,21,26)/t12-,14+/m1/s1
InChIKey	InChI	1.03	QWGHBARYVOPELP-OCCSQVGLSA-N

Related Resource References

Resource Name	Reference
PubChem	137349041

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