Nh2-ser-lys-pro-lys-val-tyr-gln-trp-phe-asp-leu-arg-lys-tyr-oh

Structural Information

Molecular Formula

C₉₀H₁₃₂N₂₂O₂₁

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)N

InChI

InChI=1S/C90H132N22O21/c1-50(2)42-66(81(124)101-63(25-16-40-98-90(96)97)77(120)100-61(22-10-13-37-91)78(121)110-71(89(132)133)45-54-29-33-57(115)34-30-54)105-85(128)70(47-74(117)118)108-83(126)67(43-52-18-6-5-7-19-52)106-84(127)69(46-55-48-99-60-21-9-8-20-58(55)60)107-79(122)64(35-36-73(95)116)102-82(125)68(44-53-27-31-56(114)32-28-53)109-87(130)75(51(3)4)111-80(123)62(23-11-14-38-92)103-86(129)72-26-17-41-112(72)88(131)65(24-12-15-39-93)104-76(119)59(94)49-113/h5-9,18-21,27-34,48,50-51,59,61-72,75,99,113-115H,10-17,22-26,35-47,49,91-94H2,1-4H3,(H2,95,116)(H,100,120)(H,101,124)(H,102,125)(H,103,129)(H,104,119)(H,105,128)(H,106,127)(H,107,122)(H,108,126)(H,109,130)(H,110,121)(H,111,123)(H,117,118)(H,132,133)(H4,96,97,98)/t59-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,75-/m0/s1

InChIKey

WLMQMGAIWXJKJR-XVIOQQHOSA-N

Compound name

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16130697