Kkgsvsiigrlhinqra

Structural Information

Molecular Formula

C₈₁H₁₄₅N₂₉O₂₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C81H145N29O22/c1-12-42(8)62(110-78(130)64(44(10)14-3)109-74(126)56(38-112)106-76(128)61(41(6)7)107-73(125)55(37-111)99-60(116)35-94-66(118)48(22-16-18-28-83)100-65(117)47(84)21-15-17-27-82)75(127)95-36-59(115)98-49(23-19-29-92-80(87)88)68(120)103-52(31-40(4)5)70(122)104-53(32-46-34-91-39-96-46)72(124)108-63(43(9)13-2)77(129)105-54(33-58(86)114)71(123)102-51(25-26-57(85)113)69(121)101-50(24-20-30-93-81(89)90)67(119)97-45(11)79(131)132/h34,39-45,47-56,61-64,111-112H,12-33,35-38,82-84H2,1-11H3,(H2,85,113)(H2,86,114)(H,91,96)(H,94,118)(H,95,127)(H,97,119)(H,98,115)(H,99,116)(H,100,117)(H,101,121)(H,102,123)(H,103,120)(H,104,122)(H,105,129)(H,106,128)(H,107,125)(H,108,124)(H,109,126)(H,110,130)(H,131,132)(H4,87,88,92)(H4,89,90,93)/t42-,43-,44-,45-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,61-,62-,63-,64-/m0/s1

InChIKey

XZMVYUYPINLALQ-KIROMDMFSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoic acid

Related CIDs

• CID 25084602