(2s)-n-[(2s)-1-[[(2s)-5-amino-1-[[(2s)-1-[[(2s)-1-[[(2s,3s)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2s)-6-amino-2-[[(2s,3s)-2-[[2-[[(2s)-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-2-[[(2s)-5-amino-5-oxo-2-[[(1s,5s)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbonyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]pentanediamide

Structural Information

Molecular Formula

C₈₈H₁₄₄N₂₄O₂₁

SMILES

CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)C3(C[C@]4(C[C@](C3)(C(=O)NC4=O)C)C)C

InChI

InChI=1S/C88H144N24O21/c1-16-46(9)66(69(93)118)110-76(125)54(26-22-34-96-85(94)95)100-70(119)48(11)99-72(121)55(27-30-61(90)114)102-77(126)58(35-43(3)4)104-74(123)56(28-31-62(91)115)101-73(122)53(25-20-21-33-89)103-80(129)67(47(10)17-2)108-64(117)39-98-71(120)60(37-50-38-97-52-24-19-18-23-51(50)52)106-79(128)65(45(7)8)109-81(130)68(49(12)113)111-78(127)59(36-44(5)6)105-75(124)57(29-32-63(92)116)107-82(131)86(13)40-87(14)42-88(15,41-86)84(133)112-83(87)132/h18-19,23-24,38,43-49,53-60,65-68,97,113H,16-17,20-22,25-37,39-42,89H2,1-15H3,(H2,90,114)(H2,91,115)(H2,92,116)(H2,93,118)(H,98,120)(H,99,121)(H,100,119)(H,101,122)(H,102,126)(H,103,129)(H,104,123)(H,105,124)(H,106,128)(H,107,131)(H,108,117)(H,109,130)(H,110,125)(H,111,127)(H4,94,95,96)(H,112,132,133)/t46-,47-,48-,49+,53-,54-,55-,56-,57-,58-,59-,60-,65-,66-,67-,68-,87-,88-/m0/s1

InChIKey

WIMAPTZZCSJPQF-IOSHAUFOSA-N

Compound name

(2S)-N-[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-5-oxo-2-[[(1S,5S)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbonyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]pentanediamide

Related CIDs

• CID 16197410