GF 94

(2S)-1-[(2S)-1-[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]-2,5-dihydropyrrole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

Also Known As: GF 94|GF-94|(2S)-1-[(2S)-1-[(2S,3S)-2-[[(2S)-5-Amino-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]-2,5-dihydropyrrole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid|((S)-1-(L-glutamyl-L-tryptophyl)-2,5-dihydro-1H-pyrrole-2-carbonyl)-L-arginyl-L-prolyl-L-glutaminyl-L-isoleucyl-L-prolyl-L-proline|L-Proline, 1-(1-(N-(N2-(1-(N2-(3,4-didehydro-1-(N-L-alpha-glutamyl-L-tryptophyl)-L-prolyl)-L-arginyl)-L-prolyl)-L-glutaminyl)-L-isoleucyl)-L-prolyl)-|(2S)-1-[(2S)-1-[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-hydroxy-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]-2,5-dihydropyrrole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid|1-(1-(n-(n2-(1-(n2-(3,4-didehydro-1-(n-l-alpha-glutamyl-l-tryptophyl)-l-prolyl)-l-arginyl)-l-prolyl)-l-glutaminyl)-l-isoleucyl)-l-prolyl)-l-proline

Molecular Formula	C53H76N14O13
Molecular Weight	1116.5717 g/mol
LogP	-3.7
Topological Polar Surface Area	422.0 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	15
Rotatable Bonds	27
Exact Mass	1116.5717
Monoisotopic Mass	1116.5717
Heavy Atoms	80
Complexity	2370.0

Chemical Identifiers

CAS Number	80658-46-4
SMILES	CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]4C=CCN4C(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCC(=O)O)N
InChIKey	GQRQBTVVQACSCK-AXPLDACSSA-N