M80

3-[4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)PHENYL]PROPANOIC ACID

Created:	2010-03-31
Last modified:	2011-06-04

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1 entries where M80 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	59
Chiral Atom Count	1
Bond Count	61
Aromatic Bond Count	18

2D diagram of M80

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Chemical Component Summary
Name	3-[4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)PHENYL]PROPANOIC ACID
Systematic Name (OpenEye OEToolkits)	3-[4-[[(2S)-3-phenyl-2-phenylmethoxycarbonylamino-propanoyl]amino]phenyl]propanoic acid
Formula	C₂₆ H₂₆ N₂ O₅
Molecular Weight	446.495
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCc1ccc(cc1)NC(=O)C(NC(=O)OCc2ccccc2)Cc3ccccc3
SMILES	CACTVS	3.352	OC(=O)CCc1ccc(NC(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3)cc1
SMILES	OpenEye OEToolkits	1.6.1	c1ccc(cc1)CC(C(=O)Nc2ccc(cc2)CCC(=O)O)NC(=O)OCc3ccccc3
Canonical SMILES	CACTVS	3.352	OC(=O)CCc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3)cc1
Canonical SMILES	OpenEye OEToolkits	1.6.1	c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)CCC(=O)O)NC(=O)OCc3ccccc3
InChI	InChI	1.03	InChI=1S/C26H26N2O5/c29-24(30)16-13-19-11-14-22(15-12-19)27-25(31)23(17-20-7-3-1-4-8-20)28-26(32)33-18-21-9-5-2-6-10-21/h1-12,14-15,23H,13,16-18H2,(H,27,31)(H,28,32)(H,29,30)/t23-/m0/s1
InChIKey	InChI	1.03	UUUSYJRIAPGCQL-QHCPKHFHSA-N

Related Resource References

Resource Name	Reference
PubChem	49867278

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