114991-28-5

Structural Information

Molecular Formula

C₇₃H₁₂₆N₂₆O₁₈

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C73H126N26O18/c1-9-39(5)56(66(112)87-36-53(103)91-48(70(116)117)23-14-15-29-74)97-69(115)58(42(8)100)98-67(113)55(38(3)4)95-64(110)49(34-43-20-12-11-13-21-43)94-59(105)41(7)89-62(108)46(25-18-32-85-73(81)82)90-52(102)35-86-65(111)50-26-19-33-99(50)54(104)37-88-61(107)45(24-17-31-84-72(79)80)92-63(109)47(27-28-51(76)101)93-68(114)57(40(6)10-2)96-60(106)44(75)22-16-30-83-71(77)78/h11-13,20-21,38-42,44-50,55-58,100H,9-10,14-19,22-37,74-75H2,1-8H3,(H2,76,101)(H,86,111)(H,87,112)(H,88,107)(H,89,108)(H,90,102)(H,91,103)(H,92,109)(H,93,114)(H,94,105)(H,95,110)(H,96,106)(H,97,115)(H,98,113)(H,116,117)(H4,77,78,83)(H4,79,80,84)(H4,81,82,85)/t39-,40-,41-,42+,44-,45-,46-,47-,48-,49-,50-,55-,56-,57-,58-/m0/s1

InChIKey

SMHASQROABALLM-ROQHZCFESA-N

Compound name

(2S)-6-amino-2-[[2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoic acid

Related CIDs

• CID 25078052