Asparaginyl-seryl-phenylalanyl-arginyl-tyrosinamide

(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]butanediamide

Also Known As: Asfry-NH2|Asn-ser-phe-arg-tyr-NH2|Asparaginyl-seryl-phenylalanyl-arginyl-tyrosinamide|J1.286.995I|(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]butanediamide|l-asparaginyl-l-seryl-l-phenylalanyl-n5-(diaminomethylidene)-l-ornithyl-l-tyrosinamide|(2S)-2-amino-N-[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-hydroxyethyl]butanediamide|(2S,5S,8S,11S,14S)-14-Amino-8-benzyl-5-[3-(carbamimidoylamino)propyl]-4,7,10,13-tetrahydroxy-11-(hydroxymethyl)-2-[(4-hydroxyphenyl)methyl]-3,6,9,12-tetraazahexadeca-3,6,9,12-tetraene-1,16-diimidic acid|14-Amino-8-benzyl-5-(3-carbamimidamidopropyl)-4,7,10,13-tetrahydroxy-11-(hydroxymethyl)-2-[(4-hydroxyphenyl)methyl]-3,6,9,12-tetraazahexadeca-3,6,9,12-tetraene-1,16-diimidic acid

Molecular Formula	C31H44N10O8
Molecular Weight	684.33435 g/mol
LogP	-3.3
Topological Polar Surface Area	333.0 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	10
Rotatable Bonds	20
Exact Mass	684.33435
Monoisotopic Mass	684.33435
Heavy Atoms	49
Complexity	1150.0

Chemical Identifiers

CAS Number	18366-49-9
SMILES	C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)N
InChIKey	GCLINQNIKJHLQE-LSBAASHUSA-N