Kkkkvvaatyvff

Structural Information

Molecular Formula

C₇₆H₁₂₁N₁₇O₁₆

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](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](C)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/C76H121N17O16/c1-43(2)60(92-74(106)62(45(5)6)90-69(101)56(31-19-23-39-80)86-68(100)55(30-18-22-38-79)85-67(99)54(29-17-21-37-78)84-66(98)53(81)28-16-20-36-77)72(104)83-46(7)64(96)82-47(8)65(97)93-63(48(9)94)75(107)88-58(41-51-32-34-52(95)35-33-51)71(103)91-61(44(3)4)73(105)87-57(40-49-24-12-10-13-25-49)70(102)89-59(76(108)109)42-50-26-14-11-15-27-50/h10-15,24-27,32-35,43-48,53-63,94-95H,16-23,28-31,36-42,77-81H2,1-9H3,(H,82,96)(H,83,104)(H,84,98)(H,85,99)(H,86,100)(H,87,105)(H,88,107)(H,89,102)(H,90,101)(H,91,103)(H,92,106)(H,93,97)(H,108,109)/t46-,47-,48+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1

InChIKey

FYANXTJGFJBXNI-ZJRBEIAWSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(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]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 16073034