135447-36-8

Structural Information

Molecular Formula

C₆₂H₈₃N₁₇O₁₃

SMILES

COC1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)O)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C62H83N17O13/c1-92-41-24-20-39(21-25-41)31-45(53(65)84)76-54(85)42(15-8-28-70-61(66)67)74-59(90)49-17-10-30-79(49)60(91)44(16-9-29-71-62(68)69)75-58(89)48(35-51(64)82)78-55(86)43(26-27-50(63)81)73-57(88)47(32-36-11-4-2-5-12-36)77-56(87)46(33-38-18-22-40(80)23-19-38)72-52(83)34-37-13-6-3-7-14-37/h2-7,11-14,18-25,42-49,80H,8-10,15-17,26-35H2,1H3,(H2,63,81)(H2,64,82)(H2,65,84)(H,72,83)(H,73,88)(H,74,90)(H,75,89)(H,76,85)(H,77,87)(H,78,86)(H4,66,67,70)(H4,68,69,71)/t42-,43-,44-,45-,46+,47-,48-,49-/m0/s1

InChIKey

DXRLZDYXMQEIGJ-NDWCYBODSA-N

Compound name

(2S)-N-[(2S)-4-amino-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]-2-[[(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanediamide

Related CIDs

• CID 25079033