Vsfnfpqitkk

Structural Information

Molecular Formula

C₆₂H₉₇N₁₅O₁₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C62H97N15O16/c1-6-35(4)50(59(89)76-51(36(5)79)60(90)69-39(22-13-15-27-63)52(82)70-41(62(92)93)23-14-16-28-64)75-53(83)40(25-26-47(65)80)68-57(87)46-24-17-29-77(46)61(91)44(31-38-20-11-8-12-21-38)73-55(85)43(32-48(66)81)72-54(84)42(30-37-18-9-7-10-19-37)71-56(86)45(33-78)74-58(88)49(67)34(2)3/h7-12,18-21,34-36,39-46,49-51,78-79H,6,13-17,22-33,63-64,67H2,1-5H3,(H2,65,80)(H2,66,81)(H,68,87)(H,69,90)(H,70,82)(H,71,86)(H,72,84)(H,73,85)(H,74,88)(H,75,83)(H,76,89)(H,92,93)/t35-,36+,39-,40-,41-,42-,43-,44-,45-,46-,49-,50-,51-/m0/s1

InChIKey

CRDHCSGATWGUEH-OLMZARCISA-N

Compound name

(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]hexanoic acid

Related CIDs

• CID 473821