Kkkkvvaatyvpv

Structural Information

Molecular Formula

C₆₈H₁₁₉N₁₇O₁₆

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=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/C68H119N17O16/c1-36(2)51(81-65(97)52(37(3)4)80-61(93)48(24-15-19-33-72)78-60(92)47(23-14-18-32-71)77-59(91)46(22-13-17-31-70)76-58(90)45(73)21-12-16-30-69)64(96)75-40(9)56(88)74-41(10)57(89)84-55(42(11)86)66(98)79-49(35-43-26-28-44(87)29-27-43)62(94)82-53(38(5)6)67(99)85-34-20-25-50(85)63(95)83-54(39(7)8)68(100)101/h26-29,36-42,45-55,86-87H,12-25,30-35,69-73H2,1-11H3,(H,74,88)(H,75,96)(H,76,90)(H,77,91)(H,78,92)(H,79,98)(H,80,93)(H,81,97)(H,82,94)(H,83,95)(H,84,89)(H,100,101)/t40-,41-,42+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1

InChIKey

HNYAGUXBDJBVIO-VNFHYHOESA-N

Compound name

(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(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]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid

Related CIDs

• CID 16073012