H-leu-glu-thr-ser-glu-gly-cys-arg-gln-ile-leu-gly-gln-leu-gln-oh

Structural Information

Molecular Formula

C₆₉H₁₁₉N₂₁O₂₅S

SMILES

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

InChI

InChI=1S/C69H119N21O25S/c1-10-34(8)54(66(112)87-43(25-32(4)5)58(104)78-27-50(96)79-39(13-18-47(71)93)60(106)86-44(26-33(6)7)63(109)85-42(68(114)115)15-20-49(73)95)89-61(107)40(14-19-48(72)94)84-59(105)37(12-11-23-76-69(74)75)82-65(111)46(30-116)80-51(97)28-77-57(103)38(16-21-52(98)99)83-64(110)45(29-91)88-67(113)55(35(9)92)90-62(108)41(17-22-53(100)101)81-56(102)36(70)24-31(2)3/h31-46,54-55,91-92,116H,10-30,70H2,1-9H3,(H2,71,93)(H2,72,94)(H2,73,95)(H,77,103)(H,78,104)(H,79,96)(H,80,97)(H,81,102)(H,82,111)(H,83,110)(H,84,105)(H,85,109)(H,86,106)(H,87,112)(H,88,113)(H,89,107)(H,90,108)(H,98,99)(H,100,101)(H,114,115)(H4,74,75,76)/t34-,35+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,54-,55-/m0/s1

InChIKey

APFYYYWPWURDBJ-WGISELORSA-N

Compound name

(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 25078078