| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H31N9O10 |
| Molecular Weight | 689.6321 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
![Structure of N-[4-[[(4S)-4-[[4-[[(2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]amino]-4-carboxy-1-oxobutyl]amino]benzoyl]-L-glutamic acid](/img/32c803c3-3c8c-45b5-b716-b5db8976c0de.svg?size=400&version=4&stereo=false "Structure of N-[4-[[(4S)-4-[[4-[[(2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]amino]-4-carboxy-1-oxobutyl]amino]benzoyl]-L-glutamic acid")
SMILES
NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)NC4=CC=C(C=C4)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)=CNC2=N1
InChI
InChIKey=NJIKISQEZZPADF-SFTDATJTSA-N
InChI=1S/C31H31N9O10/c32-31-39-25-24(28(46)40-31)36-19(14-34-25)13-33-17-5-1-15(2-6-17)26(44)37-20(29(47)48)9-11-22(41)35-18-7-3-16(4-8-18)27(45)38-21(30(49)50)10-12-23(42)43/h1-8,14,20-21,33H,9-13H2,(H,35,41)(H,37,44)(H,38,45)(H,42,43)(H,47,48)(H,49,50)(H3,32,34,39,40,46)/t20-,21-/m0/s1
| Molecular Formula | C31H31N9O10 |
| Molecular Weight | 689.6321 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
