Nbi-6024

Structural Information

Molecular Formula

C₆₆H₁₁₂N₂₀O₂₁

SMILES

C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CO)N

InChI

InChI=1S/C66H112N20O21/c1-30(2)21-43(81-54(96)36(12)75-58(100)42(17-19-49(91)92)80-65(107)52(34(9)10)86-63(105)45(23-32(5)6)84-61(103)46(24-38-25-70-29-74-38)83-56(98)39(67)28-87)60(102)76-37(13)55(97)82-44(22-31(3)4)62(104)85-51(33(7)8)64(106)77-35(11)53(95)72-26-47(88)78-41(16-18-48(89)90)59(101)79-40(15-14-20-71-66(68)69)57(99)73-27-50(93)94/h25,29-37,39-46,51-52,87H,14-24,26-28,67H2,1-13H3,(H,70,74)(H,72,95)(H,73,99)(H,75,100)(H,76,102)(H,77,106)(H,78,88)(H,79,101)(H,80,107)(H,81,96)(H,82,97)(H,83,98)(H,84,103)(H,85,104)(H,86,105)(H,89,90)(H,91,92)(H,93,94)(H4,68,69,71)/t35-,36-,37-,39-,40-,41-,42-,43-,44-,45-,46-,51-,52-/m0/s1

InChIKey

PHEWVCZHSBTZFX-DBCSJUPNSA-N

Compound name

(4S)-4-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]acetyl]amino]-5-[[(2S)-1-(carboxymethylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 9812645