(2s)-6-amino-n-[(2s)-1-[[(2r)-1-[[(2s,3r)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopentan-2-yl]-2-[[(2r)-2-[[(2s)-2-[[(2r)-2-[[(2r)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]hexanamide

Structural Information

Molecular Formula

C₅₄H₇₁N₁₁O₁₀S₂

SMILES

CCC[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CS)NC(=O)[C@@H](CC4=CC5=CC=CC=C5C=C4)N

InChI

InChI=1S/C54H71N11O10S2/c1-3-10-40(49(70)64-45(29-77)54(75)65-46(30(2)66)47(57)68)59-50(71)41(15-8-9-22-55)60-52(73)43(26-35-27-58-39-14-7-6-13-37(35)39)62-51(72)42(25-31-17-20-36(67)21-18-31)61-53(74)44(28-76)63-48(69)38(56)24-32-16-19-33-11-4-5-12-34(33)23-32/h4-7,11-14,16-21,23,27,30,38,40-46,58,66-67,76-77H,3,8-10,15,22,24-26,28-29,55-56H2,1-2H3,(H2,57,68)(H,59,71)(H,60,73)(H,61,74)(H,62,72)(H,63,69)(H,64,70)(H,65,75)/t30-,38-,40+,41+,42+,43-,44+,45+,46+/m1/s1

InChIKey

RLNIYTXNFXRFKR-ONAWYWRUSA-N

Compound name

(2S)-6-amino-N-[(2S)-1-[[(2R)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopentan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide

Related CIDs

• CID 119348