Kkkkvvaetyvlv

Structural Information

Molecular Formula

C₇₁H₁₂₅N₁₇O₁₈

SMILES

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

InChI

InChI=1S/C71H125N17O18/c1-37(2)35-51(65(99)87-57(41(9)10)71(105)106)82-68(102)55(39(5)6)85-66(100)52(36-44-25-27-45(90)28-26-44)83-70(104)58(43(12)89)88-64(98)50(29-30-53(91)92)78-59(93)42(11)77-67(101)54(38(3)4)86-69(103)56(40(7)8)84-63(97)49(24-16-20-34-75)81-62(96)48(23-15-19-33-74)80-61(95)47(22-14-18-32-73)79-60(94)46(76)21-13-17-31-72/h25-28,37-43,46-52,54-58,89-90H,13-24,29-36,72-76H2,1-12H3,(H,77,101)(H,78,93)(H,79,94)(H,80,95)(H,81,96)(H,82,102)(H,83,104)(H,84,97)(H,85,100)(H,86,103)(H,87,99)(H,88,98)(H,91,92)(H,105,106)/t42-,43+,46-,47-,48-,49-,50-,51-,52-,54-,55-,56-,57-,58-/m0/s1

InChIKey

REDXYOOXXIMULM-MAZBWSTESA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16072974