Nh2-his-gly-asn-lys-ser-ser-gly-pro-asn-glu-leu-gly-arg-phe-lys-oh

Structural Information

Molecular Formula

C₆₉H₁₁₀N₂₄O₂₂

SMILES

CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CC3=CN=CN3)N

InChI

InChI=1S/C69H110N24O22/c1-36(2)24-44(58(104)80-31-53(98)83-40(16-10-22-78-69(75)76)60(106)89-45(25-37-12-4-3-5-13-37)63(109)87-43(68(114)115)15-7-9-21-71)88-62(108)42(18-19-56(101)102)86-65(111)47(28-52(74)97)90-67(113)50-17-11-23-93(50)55(100)32-81-59(105)48(33-94)91-66(112)49(34-95)92-61(107)41(14-6-8-20-70)85-64(110)46(27-51(73)96)84-54(99)30-79-57(103)39(72)26-38-29-77-35-82-38/h3-5,12-13,29,35-36,39-50,94-95H,6-11,14-28,30-34,70-72H2,1-2H3,(H2,73,96)(H2,74,97)(H,77,82)(H,79,103)(H,80,104)(H,81,105)(H,83,98)(H,84,99)(H,85,110)(H,86,111)(H,87,109)(H,88,108)(H,89,106)(H,90,113)(H,91,112)(H,92,107)(H,101,102)(H,114,115)(H4,75,76,78)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1

InChIKey

IEUICKZHLQBLEG-OBCMTGTFSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]hexanoic acid

Related CIDs

• CID 25078080