CAS 125594-04-9 | L-Alanine, L-leucyl-L-methionyl-L-valylglycylglycyl-L-valyl-L-valyl-L-isoleucyl- | CAS Number 125594-04-9

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125594-04-9 | L-Alanine, L-leucyl-L-methionyl-L-valylglycylglycyl-L-valyl-L-valyl-L-isoleucyl-

CAS No: 125594-04-9 Catalog No: AG000NXB MDL No:

Product Description

Catalog Number:

AG000NXB

Chemical Name:

L-Alanine, L-leucyl-L-methionyl-L-valylglycylglycyl-L-valyl-L-valyl-L-isoleucyl-

CAS Number:

125594-04-9

Molecular Formula:

C39H71N9O10S

Molecular Weight:

858.1003

IUPAC Name:

(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]propanoic acid

InChI:

InChI=1S/C39H71N9O10S/c1-13-23(10)32(38(56)43-24(11)39(57)58)48-37(55)31(22(8)9)47-36(54)30(21(6)7)45-28(50)18-41-27(49)17-42-35(53)29(20(4)5)46-34(52)26(14-15-59-12)44-33(51)25(40)16-19(2)3/h19-26,29-32H,13-18,40H2,1-12H3,(H,41,49)(H,42,53)(H,43,56)(H,44,51)(H,45,50)(H,46,52)(H,47,54)(H,48,55)(H,57,58)/t23-,24-,25-,26-,29-,30-,31-,32-/m0/s1

InChI Key:

DWNXERCIYPVEQC-FUGGBLAOSA-N

SMILES:

CSCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)[C@H](CC)C)C(C)C)C(C)C)C(C)C)NC(=O)[C@H](CC(C)C)N