Chembl409509

Structural Information

Molecular Formula

C₇₉H₁₄₅N₂₇O₂₁

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)C

InChI

InChI=1S/C79H145N27O21/c1-16-43(12)61(73(123)99-51(32-39(4)5)68(118)100-52(37-107)65(115)92-35-56(112)95-48(26-22-30-88-78(83)84)66(116)98-50(76(126)127)24-19-20-28-80)106-75(125)62(44(13)17-2)104-67(117)49(27-23-31-89-79(85)86)96-57(113)36-93-70(120)58(40(6)7)102-74(124)63(45(14)18-3)105-72(122)60(42(10)11)103-71(121)59(41(8)9)101-69(119)53(38-108)97-55(111)34-90-54(110)33-91-64(114)47(94-46(15)109)25-21-29-87-77(81)82/h39-45,47-53,58-63,107-108H,16-38,80H2,1-15H3,(H,90,110)(H,91,114)(H,92,115)(H,93,120)(H,94,109)(H,95,112)(H,96,113)(H,97,111)(H,98,116)(H,99,123)(H,100,118)(H,101,119)(H,102,124)(H,103,121)(H,104,117)(H,105,122)(H,106,125)(H,126,127)(H4,81,82,87)(H4,83,84,88)(H4,85,86,89)/t43-,44-,45-,47-,48-,49-,50-,51-,52-,53-,58-,59-,60-,61-,62-,63-/m0/s1

InChIKey

CQNWTKHEHISVFS-VDPHJYOQSA-N

Compound name

(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoic acid

Related CIDs

• CID 25078062