Kkkkvvaatyvev

Structural Information

Molecular Formula

C₆₈H₁₁₉N₁₇O₁₈

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](CCC(=O)O)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/C68H119N17O18/c1-35(2)51(83-66(100)53(37(5)6)81-61(95)47(23-15-19-33-72)78-60(94)46(22-14-18-32-71)77-59(93)45(21-13-17-31-70)76-58(92)44(73)20-12-16-30-69)64(98)75-39(9)56(90)74-40(10)57(91)85-55(41(11)86)67(101)80-49(34-42-24-26-43(87)27-25-42)63(97)82-52(36(3)4)65(99)79-48(28-29-50(88)89)62(96)84-54(38(7)8)68(102)103/h24-27,35-41,44-49,51-55,86-87H,12-23,28-34,69-73H2,1-11H3,(H,74,90)(H,75,98)(H,76,92)(H,77,93)(H,78,94)(H,79,99)(H,80,101)(H,81,95)(H,82,97)(H,83,100)(H,84,96)(H,85,91)(H,88,89)(H,102,103)/t39-,40-,41+,44-,45-,46-,47-,48-,49-,51-,52-,53-,54-,55-/m0/s1

InChIKey

UDCZODCWEBWPLC-KRZFVOTFSA-N

Compound name

(4S)-4-[[(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]-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16072978