Kkkkvvaaeyvlv

Structural Information

Molecular Formula

C₇₀H₁₂₃N₁₇O₁₇

SMILES

C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)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(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

InChI

InChI=1S/C70H123N17O17/c1-37(2)35-51(65(98)87-57(41(9)10)70(103)104)83-68(101)55(39(5)6)85-66(99)52(36-44-25-27-45(88)28-26-44)82-63(96)50(29-30-53(89)90)78-59(92)43(12)76-58(91)42(11)77-67(100)54(38(3)4)86-69(102)56(40(7)8)84-64(97)49(24-16-20-34-74)81-62(95)48(23-15-19-33-73)80-61(94)47(22-14-18-32-72)79-60(93)46(75)21-13-17-31-71/h25-28,37-43,46-52,54-57,88H,13-24,29-36,71-75H2,1-12H3,(H,76,91)(H,77,100)(H,78,92)(H,79,93)(H,80,94)(H,81,95)(H,82,96)(H,83,101)(H,84,97)(H,85,99)(H,86,102)(H,87,98)(H,89,90)(H,103,104)/t42-,43-,46-,47-,48-,49-,50-,51-,52-,54-,55-,56-,57-/m0/s1

InChIKey

INLIYEOWTKUIHO-BKSGOIBQSA-N

Compound name

(4S)-4-[[(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]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16072975