Tkgpgrviyatgq

Structural Information

Molecular Formula

C₅₉H₉₈N₁₈O₁₈

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C59H98N18O18/c1-8-30(4)47(57(93)73-39(25-34-16-18-35(80)19-17-34)52(88)69-31(5)49(85)76-48(33(7)79)55(91)67-27-43(83)71-38(58(94)95)20-21-41(61)81)75-56(92)46(29(2)3)74-51(87)37(14-11-23-65-59(63)64)70-42(82)26-66-53(89)40-15-12-24-77(40)44(84)28-68-50(86)36(13-9-10-22-60)72-54(90)45(62)32(6)78/h16-19,29-33,36-40,45-48,78-80H,8-15,20-28,60,62H2,1-7H3,(H2,61,81)(H,66,89)(H,67,91)(H,68,86)(H,69,88)(H,70,82)(H,71,83)(H,72,90)(H,73,93)(H,74,87)(H,75,92)(H,76,85)(H,94,95)(H4,63,64,65)/t30-,31-,32+,33+,36-,37-,38-,39-,40-,45-,46-,47-,48-/m0/s1

InChIKey

LYKGKKNJXGUTTH-YFYJHGBSSA-N

Compound name

(2S)-5-amino-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 454998