Nh2-gln-lys-trp-glu-asp-trp-val-gly-trp-ile-gly-asn-cooh

Structural Information

Molecular Formula

C₇₂H₉₆N₁₈O₁₉

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)N

InChI

InChI=1S/C72H96N18O19/c1-5-37(4)62(71(107)81-35-58(94)83-54(72(108)109)29-56(76)92)90-68(104)50(26-38-31-77-45-17-9-6-14-41(38)45)82-57(93)34-80-70(106)61(36(2)3)89-69(105)52(28-40-33-79-47-19-11-8-16-43(40)47)87-67(103)53(30-60(97)98)88-65(101)49(22-24-59(95)96)85-66(102)51(27-39-32-78-46-18-10-7-15-42(39)46)86-64(100)48(20-12-13-25-73)84-63(99)44(74)21-23-55(75)91/h6-11,14-19,31-33,36-37,44,48-54,61-62,77-79H,5,12-13,20-30,34-35,73-74H2,1-4H3,(H2,75,91)(H2,76,92)(H,80,106)(H,81,107)(H,82,93)(H,83,94)(H,84,99)(H,85,102)(H,86,100)(H,87,103)(H,88,101)(H,89,105)(H,90,104)(H,95,96)(H,97,98)(H,108,109)/t37-,44-,48-,49-,50-,51-,52-,53-,54-,61-,62-/m0/s1

InChIKey

CDIQGHQJEWETNI-YYSYPERWSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3S)-1-[[2-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16131746