Chembl411714

Structural Information

Molecular Formula

C₇₅H₁₄₀N₂₄O₁₉

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)[C@H](CCCCN)N

InChI

InChI=1S/C75H140N24O19/c1-15-42(12)58(70(114)92-49(32-38(4)5)65(109)93-50(36-100)62(106)86-34-52(102)88-46(26-22-30-83-74(79)80)63(107)91-48(73(117)118)25-19-21-29-77)99-72(116)59(43(13)16-2)97-64(108)47(27-23-31-84-75(81)82)89-53(103)35-87-67(111)55(39(6)7)95-71(115)60(44(14)17-3)98-69(113)57(41(10)11)96-68(112)56(40(8)9)94-66(110)51(37-101)90-54(104)33-85-61(105)45(78)24-18-20-28-76/h38-51,55-60,100-101H,15-37,76-78H2,1-14H3,(H,85,105)(H,86,106)(H,87,111)(H,88,102)(H,89,103)(H,90,104)(H,91,107)(H,92,114)(H,93,109)(H,94,110)(H,95,115)(H,96,112)(H,97,108)(H,98,113)(H,99,116)(H,117,118)(H4,79,80,83)(H4,81,82,84)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,55-,56-,57-,58-,59-,60-/m0/s1

InChIKey

UKYKMHCRGDLWRH-IRZAZAFESA-N

Compound name

(2S)-6-amino-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-[[(2S)-2,6-diaminohexanoyl]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]hexanoic acid

Related CIDs

• CID 482174