Prolyl-threonyl-glutamyl-phenylalanyl-4-nitrophenylalanyl-arginyl-leucine

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoic acid

Also Known As: Ptgp-NP-AL|H-PRO-THR-GLU-PHE-P-NITRO-PHE-ARG-LEU-OH|Pro-thr-glu-phe-4-nitro-phe-arg-leu|HY-P4561|C44-H63-N11-O13\r\n|J1.159.925G|Prolyl-threonyl-glutamyl-phenylalanyl-4-nitrophenylalanyl-arginyl-leucine|(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoic acid|5,6-Dihydro-2-phenyl-7H-pyrrolo<3,4-b>pyridin-7-on|L-Pro-L-Thr-L-Glu-L-Phe-4-Nitro-L-Phe-L-Arg-L-Leu-OH|L-Leucine, N-(N2-(4-nitro-N-(N-(N-(N-L-prolyl-L-threonyl)-L-alpha-glutamyl)-L-phenylalanyl)-L-phenylalanyl)-L-arginyl)-, (2'E)-|(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2-[(2S)-4-carboxy-2-[(2S,3R)-3-hydroxy-2-{[(2S)-pyrrolidin-2-yl]formamido}butanamido]butanamido]-3-phenylpropanamido]-3-(4-nitrophenyl)propanamido]pentanamido]-4-methylpentanoic acid|(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-hydroxy-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]pentanoyl]amino]-4-methylpentanoic acid|(2S,5S,8S,11S,14S)-11-Benzyl-5-(3-guanidinoPropyl)-14-((2S,3R)-3-hydroxy-2-((S)-pyrrolidine-2-carboxamido)butanamido)-2-isobutyl-8-(4-nitrobenzyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazaheptadecane-1,17-dioic acid|L-prolyl-L-threonyl-L-alpha-glutamyl-L-phenylalanyl-4-nitro-L-phenylalanyl-L-arginyl-L-leucine

Molecular Formula	C44H63N11O13
Molecular Weight	953.4607 g/mol
LogP	-1.9
Topological Polar Surface Area	392.0 Ų
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	15
Rotatable Bonds	27
Exact Mass	953.4607
Monoisotopic Mass	953.4607
Heavy Atoms	68
Complexity	1760.0

Chemical Identifiers

CAS Number	90331-82-1
SMILES	C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@@H]3CCCN3)O
InChIKey	OHIZVORKJVKXKL-RLEGQPMYSA-N