Kkkkvvagtyvlv

Structural Information

Molecular Formula

C₆₈H₁₂₁N₁₇O₁₆

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)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)CNC(=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/C68H121N17O16/c1-36(2)33-49(62(94)85-55(40(9)10)68(100)101)79-65(97)53(38(5)6)83-63(95)50(34-43-25-27-44(87)28-26-43)80-67(99)56(42(12)86)81-51(88)35-74-57(89)41(11)75-64(96)52(37(3)4)84-66(98)54(39(7)8)82-61(93)48(24-16-20-32-72)78-60(92)47(23-15-19-31-71)77-59(91)46(22-14-18-30-70)76-58(90)45(73)21-13-17-29-69/h25-28,36-42,45-50,52-56,86-87H,13-24,29-35,69-73H2,1-12H3,(H,74,89)(H,75,96)(H,76,90)(H,77,91)(H,78,92)(H,79,97)(H,80,99)(H,81,88)(H,82,93)(H,83,95)(H,84,98)(H,85,94)(H,100,101)/t41-,42+,45-,46-,47-,48-,49-,50-,52-,53-,54-,55-,56-/m0/s1

InChIKey

PTQLUGRALATEFQ-SCKBKNNBSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[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]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid

Related CIDs

• CID 16072999