Kkkkvvaatyvll

Structural Information

Molecular Formula

C₇₀H₁₂₅N₁₇O₁₆

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](CC(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/C70H125N17O16/c1-37(2)34-51(64(96)83-53(70(102)103)35-38(3)4)81-67(99)55(40(7)8)85-65(97)52(36-45-26-28-46(89)29-27-45)82-69(101)57(44(13)88)87-59(91)43(12)76-58(90)42(11)77-66(98)54(39(5)6)86-68(100)56(41(9)10)84-63(95)50(25-17-21-33-74)80-62(94)49(24-16-20-32-73)79-61(93)48(23-15-19-31-72)78-60(92)47(75)22-14-18-30-71/h26-29,37-44,47-57,88-89H,14-25,30-36,71-75H2,1-13H3,(H,76,90)(H,77,98)(H,78,92)(H,79,93)(H,80,94)(H,81,99)(H,82,101)(H,83,96)(H,84,95)(H,85,97)(H,86,100)(H,87,91)(H,102,103)/t42-,43-,44+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1

InChIKey

YSHOULIIKDOGNQ-GQHOOVGQSA-N

Compound name

(2S)-2-[[(2S)-2-[[(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]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16073126