Kkkkvvaatyglv

Structural Information

Molecular Formula

C₆₆H₁₁₇N₁₇O₁₆

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=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/C66H117N17O16/c1-35(2)32-48(62(94)82-53(38(7)8)66(98)99)75-50(86)34-72-58(90)49(33-42-24-26-43(85)27-25-42)79-65(97)54(41(11)84)83-56(88)40(10)73-55(87)39(9)74-63(95)51(36(3)4)81-64(96)52(37(5)6)80-61(93)47(23-15-19-31-70)78-60(92)46(22-14-18-30-69)77-59(91)45(21-13-17-29-68)76-57(89)44(71)20-12-16-28-67/h24-27,35-41,44-49,51-54,84-85H,12-23,28-34,67-71H2,1-11H3,(H,72,90)(H,73,87)(H,74,95)(H,75,86)(H,76,89)(H,77,91)(H,78,92)(H,79,97)(H,80,93)(H,81,96)(H,82,94)(H,83,88)(H,98,99)/t39-,40-,41+,44-,45-,46-,47-,48-,49-,51-,52-,53-,54-/m0/s1

InChIKey

LSMDAINLNKMETN-LPIQLKIWSA-N

Compound name

(2S)-2-[[(2S)-2-[[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]acetyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid

Related CIDs

• CID 16073002