1242413-05-3

Structural Information

Molecular Formula

C₈₆H₁₅₃N₂₃O₁₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C86H153N23O16/c1-15-51(12)70(107-78(117)60(35-23-28-40-90)99-75(114)59(34-22-27-39-89)100-79(118)63(43-54-45-95-56-31-19-18-30-55(54)56)102-80(119)64(44-65(92)110)103-81(120)67(93)48(6)7)85(124)104-62(42-47(4)5)74(113)96-46-66(111)97-58(33-21-26-38-88)76(115)108-72(53(14)17-3)86(125)109-71(52(13)16-2)84(123)101-61(36-24-29-41-91)77(116)105-69(50(10)11)83(122)106-68(49(8)9)82(121)98-57(73(94)112)32-20-25-37-87/h18-19,30-31,45,47-53,57-64,67-72,95H,15-17,20-29,32-44,46,87-91,93H2,1-14H3,(H2,92,110)(H2,94,112)(H,96,113)(H,97,111)(H,98,121)(H,99,114)(H,100,118)(H,101,123)(H,102,119)(H,103,120)(H,104,124)(H,105,116)(H,106,122)(H,107,117)(H,108,115)(H,109,125)/t51-,52-,53-,57-,58-,59-,60-,61-,62-,63-,64-,67-,68-,69-,70-,71-,72-/m0/s1

InChIKey

PXOBUPBHNVCYCJ-AIDYTMCQSA-N

Compound name

(2S)-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2S)-2-amino-3-methylbutanoyl]amino]butanediamide

Related CIDs

• CID 71588088