Kkkkvvaatevlv

Structural Information

Molecular Formula

C₆₅H₁₂₁N₁₇O₁₇

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N)O

InChI

InChI=1S/C65H121N17O17/c1-33(2)32-46(60(93)81-51(37(9)10)65(98)99)77-62(95)49(35(5)6)78-59(92)45(26-27-47(84)85)76-64(97)52(40(13)83)82-54(87)39(12)71-53(86)38(11)72-61(94)48(34(3)4)80-63(96)50(36(7)8)79-58(91)44(25-17-21-31-69)75-57(90)43(24-16-20-30-68)74-56(89)42(23-15-19-29-67)73-55(88)41(70)22-14-18-28-66/h33-46,48-52,83H,14-32,66-70H2,1-13H3,(H,71,86)(H,72,94)(H,73,88)(H,74,89)(H,75,90)(H,76,97)(H,77,95)(H,78,92)(H,79,91)(H,80,96)(H,81,93)(H,82,87)(H,84,85)(H,98,99)/t38-,39-,40+,41-,42-,43-,44-,45-,46-,48-,49-,50-,51-,52-/m0/s1

InChIKey

WVPONCHAMBFRCM-ZUQWHWMVSA-N

Compound name

(4S)-4-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16072976