Chemical Identifiers |
- Formula
- C76H123N27O22
- IUPAC Name
(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
- Canonical SMILES
-
C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)N)O
- InChI
-
InChI=1S/C76H123N27O22/c1-39(91-58(109)37-90-73(123)60(43(5)105)103-71(121)52(33-45-20-10-7-11-21-45)95-59(110)36-88-57(108)35-89-65(115)46(79)32-44-18-8-6-9-19-44)62(112)96-49(24-16-30-86-75(82)83)68(118)99-48(23-13-15-29-78)69(119)102-54(38-104)72(122)94-42(4)63(113)97-50(25-17-31-87-76(84)85)67(117)98-47(22-12-14-28-77)66(116)93-40(2)61(111)92-41(3)64(114)101-53(34-56(81)107)70(120)100-51(74(124)125)26-27-55(80)106/h6-11,18-21,39-43,46-54,60,104-105H,12-17,22-38,77-79H2,1-5H3,(H2,80,106)(H2,81,107)(H,88,108)(H,89,115)(H,90,123)(H,91,109)(H,92,111)(H,93,116)(H,94,122)(H,95,110)(H,96,112)(H,97,113)(H,98,117)(H,99,118)(H,100,120)(H,101,114)(H,102,119)(H,103,121)(H,124,125)(H4,82,83,86)(H4,84,85,87)/t39-,40-,41-,42-,43+,46-,47-,48-,49-,50-,51-,52-,53-,54-,60-/m0/s1
- InChIKey
-
FMVUBOOWCUPBBL-OVWUADNCSA-N
|