phyllolitorin, Leu-8-

(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide

Also Known As: Pgltavggslm|Phyllolitorin, leu-8-|8-Leucylphyllolitorin|(Leu(8))phyllolitorin|Leu8-phyllolitorin|[Leu8]phyllolitorin|Pglu-leu-trp-ala-val-gly-ser-leu-met-NH2|Ranatensin, 2-L-leucine-3-de-L-proline-4-de-L-glutamine-9-L-serine-10-L-leucine-|(2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-CARBAMOYL-3-(METHYLSULFANYL)PROPYL]CARBAMOYL}-3-METHYLBUTYL]CARBAMOYL}-2-HYDROXYETHYL]CARBAMOYL}METHYL)CARBAMOYL]-2-METHYLPROPYL]CARBAMOYL}ETHYL]CARBAMOYL}-2-(1H-INDOL-3-YL)ETHYL]-4-METHYL-2-{[(2S)-5-OXOPYRROLIDIN-2-YL]FORMAMIDO}PENTANAMIDE|(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide|5-Oxo-L-prolyl-L-leucyl-L-tryptophyl-L-alanyl-L-valylglycyl-L-seryl-L-leucyl-L-methioninamide

Molecular Formula	C46H71N11O11S
Molecular Weight	985.5055 g/mol
LogP	-1.5024
Topological Polar Surface Area	341.01 Ų
Hydrogen Bond Donors	12
Hydrogen Bond Acceptors	12
Rotatable Bonds	28
Exact Mass	985.5055
Monoisotopic Mass	985.5055
Heavy Atoms	69
Complexity	2148.6262

Chemical Identifiers

CAS Number	87734-76-7
SMILES	C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCC(=O)N3