2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-pentanoyl]amino]acetic acid
Molecular Formula:
C76H123N17O16
InChI: InChI=1/C76H123N17O16/c1-10-46(8)63(75(108)82-41-62(96)97)92-73(106)60(39-49-40-81-51-26-15-14-25-50(49)51)89-67(100)54(28-17-20-32-78)85-74(107)61(42-94)91-71(104)58(37-45(6)7)88-72(105)59(38-48-23-12-11-13-24-48)90-76(109)64(47(9)95)93-68(101)55(29-18-21-33-79)84-69(102)56(35-43(2)3)87-70(103)57(36-44(4)5)86-66(99)53(27-16-19-31-77)83-65(98)52-30-22-34-80-52/h11-15,23-26,40,43-47,52-61,63-64,80-81,94-95H,10,16-22,27-39,41-42,77-79H2,1-9H3,(H,82,108)(H,83,98)(H,84,102)(H,85,107)(H,86,99)(H,87,103)(H,88,105)(H,89,100)(H,90,109)(H,91,104)(H,92,106)(H,93,101)(H,96,97)/t46-,47+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,63-,64-/m0/s1/f/h82-93,96H
InChIKey: InChIKey=MEHAQQQARFSCCN-JWJOKXCQDT
SMILES: CCC(C)C(C(=O)NCC(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C4CCCN4
Names:
2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-pentanoyl]amino]acetic acid
Registries:
PubChem CID 132815
PubChem ID 10243201
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