CAS 145459-33-2 | L-Phenylalaninamide, L-valyl-L-lysyl-L-asparaginyl-L-asparaginyl-L-phenylalanyl-L-valyl-L-prolyl-L-threonyl-L-asparaginyl-L-valylglycyl-L-seryl-L-lysyl-L-alanyl- (9CI) | CAS Number 145459-33-2

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145459-33-2 | L-Phenylalaninamide, L-valyl-L-lysyl-L-asparaginyl-L-asparaginyl-L-phenylalanyl-L-valyl-L-prolyl-L-threonyl-L-asparaginyl-L-valylglycyl-L-seryl-L-lysyl-L-alanyl- (9CI)

CAS No: 145459-33-2 Catalog No: AG001D1V MDL No:

Product Description

Catalog Number:

AG001D1V

Chemical Name:

L-Phenylalaninamide, L-valyl-L-lysyl-L-asparaginyl-L-asparaginyl-L-phenylalanyl-L-valyl-L-prolyl-L-threonyl-L-asparaginyl-L-valylglycyl-L-seryl-L-lysyl-L-alanyl- (9CI)

CAS Number:

145459-33-2

Molecular Formula:

C74H117N21O20

Molecular Weight:

1620.8495

IUPAC Name:

(2S)-N-[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]hexanoyl]amino]butanediamide

InChI:

InChI=1S/C74H117N21O20/c1-37(2)57(80)71(112)86-45(25-16-18-28-76)64(105)89-48(32-53(77)98)66(107)90-49(33-54(78)99)65(106)88-47(31-43-22-13-10-14-23-43)67(108)93-59(39(5)6)74(115)95-29-19-26-52(95)70(111)94-60(41(8)97)73(114)91-50(34-55(79)100)68(109)92-58(38(3)4)72(113)82-35-56(101)84-51(36-96)69(110)85-44(24-15-17-27-75)63(104)83-40(7)62(103)87-46(61(81)102)30-42-20-11-9-12-21-42/h9-14,20-23,37-41,44-52,57-60,96-97H,15-19,24-36,75-76,80H2,1-8H3,(H2,77,98)(H2,78,99)(H2,79,100)(H2,81,102)(H,82,113)(H,83,104)(H,84,101)(H,85,110)(H,86,112)(H,87,103)(H,88,106)(H,89,105)(H,90,107)(H,91,114)(H,92,109)(H,93,108)(H,94,111)/t40-,41+,44-,45-,46-,47-,48-,49-,50-,51-,52-,57-,58-,59-,60-/m0/s1

InChI Key:

GPLZRETWKHAQIS-FGVYJWQNSA-N

SMILES:

NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N)CCCCN)CC(=O)N)CC(=O)N)Cc1ccccc1)CC(=O)N)CO