Kkkklllptyfff

Structural Information

Molecular Formula

C₈₇H₁₃₃N₁₇O₁₆

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(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/C87H133N17O16/c1-53(2)46-66(96-78(110)65(35-20-24-44-91)95-77(109)64(34-19-23-43-90)94-76(108)63(33-18-22-42-89)93-75(107)62(92)32-17-21-41-88)79(111)97-67(47-54(3)4)80(112)101-71(48-55(5)6)86(118)104-45-25-36-73(104)84(116)103-74(56(7)105)85(117)100-70(51-60-37-39-61(106)40-38-60)82(114)98-68(49-57-26-11-8-12-27-57)81(113)99-69(50-58-28-13-9-14-29-58)83(115)102-72(87(119)120)52-59-30-15-10-16-31-59/h8-16,26-31,37-40,53-56,62-74,105-106H,17-25,32-36,41-52,88-92H2,1-7H3,(H,93,107)(H,94,108)(H,95,109)(H,96,110)(H,97,111)(H,98,114)(H,99,113)(H,100,117)(H,101,112)(H,102,115)(H,103,116)(H,119,120)/t56-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+/m1/s1

InChIKey

WTNLAQRKHULROO-AVVVBFROSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(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]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 16186485