(2r)-2-[[(2s)-2-[[(2r)-2-[[(2s)-2-[[(2r)-6-amino-2-[[(2s)-2-[[(2r)-5-guanidino-2-(2-pent-4-ynoylhydrazino)pentanoyl]amino]propanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-n-[(1s)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]pentanediamide

Structural Information

Molecular Formula

C₅₁H₈₇N₂₁O₁₁S

SMILES

C[C@@H](C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)[C@@H](CCCN=C(N)N)NNC(=O)CCC#C

InChI

InChI=1S/C51H87N21O11S/c1-4-5-15-40(75)72-71-37(14-10-26-63-51(59)60)48(83)64-29(2)42(77)65-32(11-6-7-23-52)43(78)66-33(12-8-24-61-49(55)56)44(79)67-34(13-9-25-62-50(57)58)45(80)69-36(22-27-84-3)47(82)68-35(20-21-39(53)74)46(81)70-38(41(54)76)28-30-16-18-31(73)19-17-30/h1,16-19,29,32-38,71,73H,5-15,20-28,52H2,2-3H3,(H2,53,74)(H2,54,76)(H,64,83)(H,65,77)(H,66,78)(H,67,79)(H,68,82)(H,69,80)(H,70,81)(H,72,75)(H4,55,56,61)(H4,57,58,62)(H4,59,60,63)/t29-,32+,33-,34+,35+,36-,37+,38-/m0/s1

InChIKey

ZYCYCWDAQZJTRY-NWQHSBPGSA-N

Compound name

(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2R)-5-(diaminomethylideneamino)-2-(2-pent-4-ynoylhydrazinyl)pentanoyl]amino]propanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]pentanediamide

Related CIDs

• CID 129900819