ANH

METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE

Created:	2003-10-20
Last modified:	2021-03-13

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11 entries where ANH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	1
Bond Count	55
Aromatic Bond Count	12

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Chemical Component Summary
Name	METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE
Synonyms	NALPHA-(2-NAPHTHYLSULFONYLGLYCYL)-3-AMIDINO-D,L-PHENYLALANINE-ISOPROPYLESTER
Systematic Name (OpenEye OEToolkits)	methyl (2S)-3-(3-carbamimidoylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]propanoate
Formula	C₂₀ H₂₄ N₄ O₅ S
Molecular Weight	432.493
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(c1ccc(cc1)C)NCC(=O)NC(C(=O)OC)Cc2cc(ccc2)C(=[N@H])N
SMILES	CACTVS	3.341	COC(=O)[CH](Cc1cccc(c1)C(N)=N)NC(=O)CN[S](=O)(=O)c2ccc(C)cc2
SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1)S(=O)(=O)NCC(=O)NC(Cc2cccc(c2)C(=N)N)C(=O)OC
Canonical SMILES	CACTVS	3.341	COC(=O)[C@H](Cc1cccc(c1)C(N)=N)NC(=O)CN[S](=O)(=O)c2ccc(C)cc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1)S(=O)(=O)NCC(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)OC
InChI	InChI	1.03	InChI=1S/C20H24N4O5S/c1-13-6-8-16(9-7-13)30(27,28)23-12-18(25)24-17(20(26)29-2)11-14-4-3-5-15(10-14)19(21)22/h3-10,17,23H,11-12H2,1-2H3,(H3,21,22)(H,24,25)/t17-/m0/s1
InChIKey	InChI	1.03	YAEIKQDHLCFGAA-KRWDZBQOSA-N

Drug Info: DrugBank

DrugBank ID	DB01737
Name	Nalpha-(2-Naphthylsulfonylglycyl)-3-Amidino-D,L-Phenylalanine-Isopropylester
Groups	experimental
Synonyms	Nalpha-(2-Naphthylsulfonylglycyl)-3-Amidino-D,L-Phenylalanine-Isopropylester
CAS number	133397-81-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Trypsin-1	MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGG...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682