Rdnl-6

Structural Information

Molecular Formula

C₇₁H₁₀₈N₁₈O₁₄

SMILES

C[C@H]([C@H](C(=O)N)NC(=O)[C@@H](C)NC(=O)[C@@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)N)O

InChI

InChI=1S/C71H108N18O14/c1-38(2)30-53(84-61(94)41(7)80-58(92)37-79-64(97)51(23-17-29-77-71(75)76)82-63(96)49(73)35-46-36-78-50-21-14-13-20-48(46)50)67(100)83-52(22-15-16-28-72)65(98)85-54(31-39(3)4)68(101)86-55(32-40(5)6)69(102)88-57(33-44-18-11-10-12-19-44)70(103)87-56(34-45-24-26-47(91)27-25-45)66(99)81-42(8)62(95)89-59(43(9)90)60(74)93/h10-14,18-21,24-27,36,38-43,49,51-57,59,78,90-91H,15-17,22-23,28-35,37,72-73H2,1-9H3,(H2,74,93)(H,79,97)(H,80,92)(H,81,99)(H,82,96)(H,83,100)(H,84,94)(H,85,98)(H,86,101)(H,87,103)(H,88,102)(H,89,95)(H4,75,76,77)/t41-,42-,43-,49-,51-,52-,53-,54-,55-,56-,57-,59-/m1/s1

InChIKey

AFGXDOFICWJMOU-GXYPNFNNSA-N

Compound name

(2R)-6-amino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2R)-2-[[(2R)-2-[[2-[[(2R)-2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]hexanamide

Related CIDs

• CID 25081103
• CID 25084611