7-methoxycoumarin-4-acetyl-arg-val-leu-tyr[ch2nh]-phe-glu-ala-nle-nh2

Structural Information

Molecular Formula

C₆₁H₈₆N₁₂O₁₄

SMILES

CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C61H86N12O14/c1-8-9-16-44(54(62)79)70-55(80)36(6)67-56(81)46(24-25-51(76)77)71-58(83)47(29-37-14-11-10-12-15-37)66-33-40(28-38-18-20-41(74)21-19-38)68-59(84)48(27-34(2)3)72-60(85)53(35(4)5)73-57(82)45(17-13-26-65-61(63)64)69-50(75)30-39-31-52(78)87-49-32-42(86-7)22-23-43(39)49/h10-12,14-15,18-23,31-32,34-36,40,44-48,53,66,74H,8-9,13,16-17,24-30,33H2,1-7H3,(H2,62,79)(H,67,81)(H,68,84)(H,69,75)(H,70,80)(H,71,83)(H,72,85)(H,73,82)(H,76,77)(H4,63,64,65)/t36-,40-,44-,45-,46-,47-,48-,53-/m0/s1

InChIKey

ZEZOACODFBCGCU-QHAYUODLSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 49768149