Nh2-lys-glu-thr-trp-glu-trp-trp-thr-glu-cooh

Structural Information

Molecular Formula

C₆₆H₈₆N₁₄O₂₀

SMILES

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

InChI

InChI=1S/C66H86N14O20/c1-32(81)54(63(96)74-47(66(99)100)21-24-53(88)89)80-62(95)50(28-37-31-71-44-18-9-6-14-40(37)44)75-61(94)49(27-36-30-70-43-17-8-5-13-39(36)43)77-65(98)56(34(3)83)79-59(92)46(20-23-52(86)87)73-60(93)48(26-35-29-69-42-16-7-4-12-38(35)42)76-64(97)55(33(2)82)78-58(91)45(19-22-51(84)85)72-57(90)41(68)15-10-11-25-67/h4-9,12-14,16-18,29-34,41,45-50,54-56,69-71,81-83H,10-11,15,19-28,67-68H2,1-3H3,(H,72,90)(H,73,93)(H,74,96)(H,75,94)(H,76,97)(H,77,98)(H,78,91)(H,79,92)(H,80,95)(H,84,85)(H,86,87)(H,88,89)(H,99,100)/t32-,33-,34-,41+,45+,46+,47+,48+,49+,50+,54+,55+,56+/m1/s1

InChIKey

DQZQSPCQBNZMJF-FPENESMXSA-N

Compound name

(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-carboxy-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]pentanedioic acid

Related CIDs

• CID 16133671