Chembl415120

Structural Information

Molecular Formula

C₇₀H₁₁₃N₁₉O₁₈

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)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](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)N)O

InChI

InChI=1S/C70H113N19O18/c1-36(2)30-49(64(102)79-39(7)59(97)78-35-55(93)81-46(58(74)96)19-15-29-77-70(75)76)85-62(100)47(18-13-14-28-71)83-65(103)50(31-37(3)4)86-66(104)51(32-38(5)6)87-68(106)53(33-42-16-11-10-12-17-42)88-67(105)52(34-43-20-22-44(91)23-21-43)84-60(98)40(8)80-69(107)57(41(9)90)89-63(101)48(25-27-56(94)95)82-61(99)45(72)24-26-54(73)92/h10-12,16-17,20-23,36-41,45-53,57,90-91H,13-15,18-19,24-35,71-72H2,1-9H3,(H2,73,92)(H2,74,96)(H,78,97)(H,79,102)(H,80,107)(H,81,93)(H,82,99)(H,83,103)(H,84,98)(H,85,100)(H,86,104)(H,87,106)(H,88,105)(H,89,101)(H,94,95)(H4,75,76,77)/t39-,40-,41+,45-,46-,47-,48-,49-,50-,51-,52-,53-,57-/m0/s1

InChIKey

BRGMJMMRXHFAMR-GYALQZBHSA-N

Compound name

(4S)-5-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 25080894