CAS 868595-20-4 | L-Lysine, L-glutaminyl-L-seryl-L-alanyl-L-asparaginyl-L-arginyl-L-threonyl- | CAS Number 868595-20-4

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868595-20-4 | L-Lysine, L-glutaminyl-L-seryl-L-alanyl-L-asparaginyl-L-arginyl-L-threonyl-

CAS No: 868595-20-4 Catalog No: AG004QW6 MDL No:

Product Description

Catalog Number:

AG004QW6

Chemical Name:

L-Lysine, L-glutaminyl-L-seryl-L-alanyl-L-asparaginyl-L-arginyl-L-threonyl-

CAS Number:

868595-20-4

Molecular Formula:

C31H57N13O12

Molecular Weight:

803.8642

IUPAC Name:

(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoic acid

InChI:

InChI=1S/C31H57N13O12/c1-14(39-28(53)20(13-45)43-25(50)16(33)8-9-21(34)47)24(49)42-19(12-22(35)48)27(52)40-17(7-5-11-38-31(36)37)26(51)44-23(15(2)46)29(54)41-18(30(55)56)6-3-4-10-32/h14-20,23,45-46H,3-13,32-33H2,1-2H3,(H2,34,47)(H2,35,48)(H,39,53)(H,40,52)(H,41,54)(H,42,49)(H,43,50)(H,44,51)(H,55,56)(H4,36,37,38)/t14-,15+,16-,17-,18-,19-,20-,23-/m0/s1

InChI Key:

TWIIXKBJQFRJFK-RPOKIZPRSA-N

SMILES:

NCCCC[C@@H](C(=O)O)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)CO)C)CC(=O)N)CCCNC(=N)N