62031-54-3

Structural Information

Molecular Formula

C₆₂H₉₇N₁₅O₁₄

SMILES

CC(C)C[C@H](C(=O)NCC(=O)N[C@H](CC(=O)N)C(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@@H]2CO)NC(=O)[C@H]3CCCN3C(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(=O)N)NC(=O)[C@@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C62H97N15O14/c1-36(2)28-45(74-60(89)50-19-13-27-77(50)62(91)49(29-37(3)4)75-59(88)48(33-52(67)81)72-54(83)42(65)30-38-14-6-5-7-15-38)55(84)68-34-53(82)69-47(32-51(66)80)58(87)73-46(31-39-20-22-41(79)23-21-39)57(86)70-43(17-8-10-24-63)56(85)71-44(18-9-11-25-64)61(90)76-26-12-16-40(76)35-78/h5-7,14-15,20-23,36-37,40,42-50,78-79H,8-13,16-19,24-35,63-65H2,1-4H3,(H2,66,80)(H2,67,81)(H,68,84)(H,69,82)(H,70,86)(H,71,85)(H,72,83)(H,73,87)(H,74,89)(H,75,88)/t40-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m1/s1

InChIKey

MSJSNXQCIRMHFJ-WIRNGOBFSA-N

Compound name

(2R)-N-[(2R)-1-[[(2R)-6-amino-1-[[(2R)-6-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[2-[[(2R)-2-[[(2R)-1-[(2R)-2-[[(2R)-4-amino-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]acetyl]amino]butanediamide

Related CIDs

• CID 133126676