Sgswlrdvwdkk-nh2

Structural Information

Molecular Formula

C₆₇H₁₀₂N₂₀O₁₈

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)N

InChI

InChI=1S/C67H102N20O18/c1-34(2)24-46(82-61(100)47(25-36-29-75-41-16-7-5-14-38(36)41)83-65(104)51(33-89)78-52(90)31-77-57(96)40(70)32-88)60(99)81-45(20-13-23-74-67(72)73)59(98)84-50(28-54(93)94)64(103)87-55(35(3)4)66(105)86-48(26-37-30-76-42-17-8-6-15-39(37)42)62(101)85-49(27-53(91)92)63(102)80-44(19-10-12-22-69)58(97)79-43(56(71)95)18-9-11-21-68/h5-8,14-17,29-30,34-35,40,43-51,55,75-76,88-89H,9-13,18-28,31-33,68-70H2,1-4H3,(H2,71,95)(H,77,96)(H,78,90)(H,79,97)(H,80,102)(H,81,99)(H,82,100)(H,83,104)(H,84,98)(H,85,101)(H,86,105)(H,87,103)(H,91,92)(H,93,94)(H4,72,73,74)/t40-,43-,44-,45-,46-,47-,48-,49-,50-,51-,55-/m0/s1

InChIKey

RWKLIKMWMUTVHF-OCFWRMOUSA-N

Compound name

(3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoic acid

Related CIDs

• CID 25082889